5-chloro-N-(4-methoxyphenyl)-N,1-dimethylpyrazolo[4,5-d]pyrimidin-7-amine

C14H14ClN5O — CID 139467480

IUPAC5-chloro-N-(4-methoxyphenyl)-N,1-dimethylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCOc1ccc(N(C)c2nc(Cl)nc3cnn(C)c23)cc1
InChIInChI=1S/C14H14ClN5O/c1-19(9-4-6-10(21-3)7-5-9)13-12-11(8-16-20(12)2)17-14(15)18-13/h4-8H,1-3H3
InChIKeyOXJPJFSQXVFWIL-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.79
Rot. Bonds3

About 5-chloro-N-(4-methoxyphenyl)-N,1-dimethylpyrazolo[4,5-d]pyrimidin-7-amine

5-chloro-N-(4-methoxyphenyl)-N,1-dimethylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 139467480) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-chloro-N-(4-methoxyphenyl)-N,1-dimethylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(4-methoxyphenyl)-N,1-dimethylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID139467480
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name5-chloro-N-(4-methoxyphenyl)-N,1-dimethylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCOc1ccc(N(C)c2nc(Cl)nc3cnn(C)c23)cc1
InChIInChI=1S/C14H14ClN5O/c1-19(9-4-6-10(21-3)7-5-9)13-12-11(8-16-20(12)2)17-14(15)18-13/h4-8H,1-3H3
InChIKeyOXJPJFSQXVFWIL-UHFFFAOYSA-N
XLogP2.79
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-cyclopentyl-N(8)-(2-fluorophenyl)-N(2)-(4-methoxyphenyl)-9H-purine-2,8-diamine
CID 11647397
3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 86278982
trans-N-[3-(4-methoxy-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-cyclohexane-1,4-diamine
CID 90389602
N-(4-methoxyphenyl)-1-methyl-1H-imidazo[4,5-c]pyridin-4-amine
CID 15266433
5H-Pyrrolo(3,2-d)pyrimidine-2,4-diamine, N,N'-bis(4-methoxyphenyl)-
CID 5748926
N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 522990
1-(4-methoxyphenyl)-1H-benzimidazole
CID 743942
5-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1460771
N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263415
4-[(1E)-{2-[1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
CID 91582777
2-[4-(2-Methoxyphenyl)piperazin-1-ylmethyl]-5-(pyrazol-1-yl)imidazo[1,2-a]pyridine
CID 11689612
5-[3-(3-Methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708236

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methoxyphenyl)-N,1-dimethylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(4-methoxyphenyl)-N,1-dimethylpyrazolo[4,5-d]pyrimidin-7-amine (CID 139467480) is 5-chloro-N-(4-methoxyphenyl)-N,1-dimethylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(4-methoxyphenyl)-N,1-dimethylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(4-methoxyphenyl)-N,1-dimethylpyrazolo[4,5-d]pyrimidin-7-amine is COc1ccc(N(C)c2nc(Cl)nc3cnn(C)c23)cc1.
What is the InChIKey of 5-chloro-N-(4-methoxyphenyl)-N,1-dimethylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is OXJPJFSQXVFWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-19(9-4-6-10(21-3)7-5-9)13-12-11(8-16-20(12)2)17-14(15)18-13/h4-8H,1-3H3.
What are the key properties of 5-chloro-N-(4-methoxyphenyl)-N,1-dimethylpyrazolo[4,5-d]pyrimidin-7-amine?
5-chloro-N-(4-methoxyphenyl)-N,1-dimethylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 303.75 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methoxyphenyl)-N,1-dimethylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 139467480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).