CS-0168496

tert-Butyl 2-methyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate

Manufacturer: ChemScene

CAS Number: 1073477-40-3

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Purity

98%

MDL No

None

Storage

Sealed in dry,2-8℃

Shipping

Room temperature in continental US; may vary elsewhere.

Molecular Formula

C₁₂H₁₇N₃O₃

Molecular Weight

251.28

Synonyms

tert-butyl 4-hydroxy-2-methyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidine-6-carboxylate

SMILES

O=C(N(C1)CC(N=C(C)N2)=C1C2=O)OC(C)(C)C

Tpsa

75.29

Logp

1.32902

H Acceptors

4

H Donors

1

Rotatable Bonds

0

SAFETY INFORMATION

Pictograms

GHS07

Signal Word

Warning

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

H302-H312-H332

Precautionary Statements

P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Img

ChemScene

CS-0168496

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Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₂H₁₇N₃O₃

Molecular Weight:
251.28

Synonyms:
tert-butyl 4-hydroxy-2-methyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidine-6-carboxylate

SMILES:
O=C(N(C1)CC(N=C(C)N2)=C1C2=O)OC(C)(C)C

Tpsa:
75.29

Logp:
1.32902

H Acceptors:
4

H Donors:
1

Rotatable Bonds:
0

Img

ChemScene

CS-0168497

--


Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₂H₁₆ClN₃O₂

Molecular Weight:
269.73

Synonyms:
None

SMILES:
O=C(N1CC2=NC(C)=NC(Cl)=C2C1)OC(C)(C)C

Tpsa:
55.32

Logp:
2.68912

H Acceptors:
4

H Donors:
0

Rotatable Bonds:
0

Img

ChemScene

CS-0168498

--


Purity:
98%

MDL No:
None

Storage:
Store at room temperature

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₇H₁₆

Molecular Weight:
220.31

Synonyms:
1-(4-Ethylphenyl)-2-(4-methylphenyl)acetylene

SMILES:
CC1=CC=C(C#CC2=CC=C(CC)C=C2)C=C1

Tpsa:
0

Logp:
3.95722

H Acceptors:
0

H Donors:
0

Rotatable Bonds:
1

Img

ChemScene

CS-0168499

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Purity:
95%

MDL No:
MFCD13191708

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₈H₁₀Cl₃N₃

Molecular Weight:
254.54

Synonyms:
2,4-dichloro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine,hydrochloride

SMILES:
ClC1=C2C(CCNCC2)=NC(Cl)=N1.Cl

Tpsa:
37.81

Logp:
1.8934

H Acceptors:
3

H Donors:
1

Rotatable Bonds:
0