AI63741
948594-77-2 | Methyl 2-(5-hydroxypyrimidin-2-yl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AI63741
ChemicalName
Methyl 2-(5-hydroxypyrimidin-2-yl)acetate
CasNumber
948594-77-2
MolecularFormula
C7H8N2O3
MolecularWeight
168.15001999999998
MdlNumber
MFCD16987769
Smiles
COC(=O)Cc1ncc(cn1)O
Complexity
155
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.3
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CatalogNumber: AI63741
ChemicalName: Methyl 2-(5-hydroxypyrimidin-2-yl)acetate
CasNumber: 948594-77-2
MolecularFormula: C7H8N2O3
MolecularWeight: 168.15001999999998
MdlNumber: MFCD16987769
Smiles: COC(=O)Cc1ncc(cn1)O
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.3
CatalogNumber:
AI63741
ChemicalName:
Methyl 2-(5-hydroxypyrimidin-2-yl)acetate
CasNumber:
948594-77-2
MolecularFormula:
C7H8N2O3
MolecularWeight:
168.15001999999998
MdlNumber:
MFCD16987769
Smiles:
COC(=O)Cc1ncc(cn1)O
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.3
CatalogNumber: AI63742
ChemicalName: tert-Butyl methyl 2-(5-bromopyrimidin-2-yl)malonate
CasNumber: 948594-79-4
MolecularFormula: C12H15BrN2O4
MolecularWeight: 331.1625
MdlNumber: MFCD25509425
Smiles: COC(=O)C(C(=O)OC(C)(C)C)c1ncc(cn1)Br
Complexity: 335
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 6
Xlogp3: 1.8
CatalogNumber:
AI63742
ChemicalName:
tert-Butyl methyl 2-(5-bromopyrimidin-2-yl)malonate
CasNumber:
948594-79-4
MolecularFormula:
C12H15BrN2O4
MolecularWeight:
331.1625
MdlNumber:
MFCD25509425
Smiles:
COC(=O)C(C(=O)OC(C)(C)C)c1ncc(cn1)Br
Complexity:
335
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
6
Xlogp3:
1.8
CatalogNumber: AI63743
ChemicalName: Methyl 2-(5-bromopyrimidin-2-yl)acetate
CasNumber: 948594-80-7
MolecularFormula: C7H7BrN2O2
MolecularWeight: 231.0467
MdlNumber: MFCD16987768
Smiles: COC(=O)Cc1ncc(cn1)Br
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 0.7
CatalogNumber:
AI63743
ChemicalName:
Methyl 2-(5-bromopyrimidin-2-yl)acetate
CasNumber:
948594-80-7
MolecularFormula:
C7H7BrN2O2
MolecularWeight:
231.0467
MdlNumber:
MFCD16987768
Smiles:
COC(=O)Cc1ncc(cn1)Br
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)Cc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)Cc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__