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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).