3-[(3-chlorophenyl)methyl]-7-N-methyl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine

C13H13ClN6 — CID 171621136

IUPAC3-[(3-chlorophenyl)methyl]-7-N-methyl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
SMILESCNc1nc(N)nc2c(Cc3cccc(Cl)c3)[nH]nc12
InChIInChI=1S/C13H13ClN6/c1-16-12-11-10(17-13(15)18-12)9(19-20-11)6-7-3-2-4-8(14)5-7/h2-5H,6H2,1H3,(H,19,20)(H3,15,16,17,18)
InChIKeyXLNJSYZYZCRIOH-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.22
Rot. Bonds3

About 3-[(3-chlorophenyl)methyl]-7-N-methyl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine

3-[(3-chlorophenyl)methyl]-7-N-methyl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine (PubChem CID 171621136) has the molecular formula C13H13ClN6 and a molecular weight of 288.74 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-7-N-methyl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-7-N-methyl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
PubChem CID171621136
Molecular FormulaC13H13ClN6
Molecular Weight288.74 g/mol
Exact Mass288.09
IUPAC Name3-[(3-chlorophenyl)methyl]-7-N-methyl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
SMILESCNc1nc(N)nc2c(Cc3cccc(Cl)c3)[nH]nc12
InChIInChI=1S/C13H13ClN6/c1-16-12-11-10(17-13(15)18-12)9(19-20-11)6-7-3-2-4-8(14)5-7/h2-5H,6H2,1H3,(H,19,20)(H3,15,16,17,18)
InChIKeyXLNJSYZYZCRIOH-UHFFFAOYSA-N
XLogP2.22
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 135329161
5-chloro-3-[(3-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 171621071
2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66305909
2-chloro-5-[5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]aniline
CID 82568721
4-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80833016
4-[(3-chlorophenyl)methyl]-6-(dichloromethyl)-1,3,5-triazin-2-amine
CID 54670841
4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane
CID 155700046
4-chloro-6-[4-[(3-chlorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 166101462
2-[(3-chlorophenyl)methyl]-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 66302364
5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide
CID 158216481
1-(3-chlorophenyl)-N-methoxymethanamine
CID 60702249
5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 160822484

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-7-N-methyl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-7-N-methyl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine (CID 171621136) is 3-[(3-chlorophenyl)methyl]-7-N-methyl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-7-N-methyl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-7-N-methyl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine is CNc1nc(N)nc2c(Cc3cccc(Cl)c3)[nH]nc12.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-7-N-methyl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine?
The InChIKey is XLNJSYZYZCRIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN6/c1-16-12-11-10(17-13(15)18-12)9(19-20-11)6-7-3-2-4-8(14)5-7/h2-5H,6H2,1H3,(H,19,20)(H3,15,16,17,18).
What are the key properties of 3-[(3-chlorophenyl)methyl]-7-N-methyl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine?
3-[(3-chlorophenyl)methyl]-7-N-methyl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine has a molecular weight of 288.74 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-7-N-methyl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 171621136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).