6-N-cyclopentyl-1-methyl-4-N-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

C18H22N6 — CID 44826614

IUPAC6-N-cyclopentyl-1-methyl-4-N-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2nc(NC3CCCC3)nc3c2cnn3C)cc1
InChIInChI=1S/C18H22N6/c1-12-7-9-14(10-8-12)20-16-15-11-19-24(2)17(15)23-18(22-16)21-13-5-3-4-6-13/h7-11,13H,3-6H2,1-2H3,(H2,20,21,22,23)
InChIKeyAADMSBIKPWWQSX-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.77
Rot. Bonds4

About 6-N-cyclopentyl-1-methyl-4-N-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-cyclopentyl-1-methyl-4-N-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 44826614) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 6-N-cyclopentyl-1-methyl-4-N-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-cyclopentyl-1-methyl-4-N-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID44826614
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name6-N-cyclopentyl-1-methyl-4-N-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2nc(NC3CCCC3)nc3c2cnn3C)cc1
InChIInChI=1S/C18H22N6/c1-12-7-9-14(10-8-12)20-16-15-11-19-24(2)17(15)23-18(22-16)21-13-5-3-4-6-13/h7-11,13H,3-6H2,1-2H3,(H2,20,21,22,23)
InChIKeyAADMSBIKPWWQSX-UHFFFAOYSA-N
XLogP3.77
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-1-methyl-4-N-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-cyclopentyl-1-methyl-4-N-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 44826614) is 6-N-cyclopentyl-1-methyl-4-N-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-cyclopentyl-1-methyl-4-N-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-cyclopentyl-1-methyl-4-N-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is Cc1ccc(Nc2nc(NC3CCCC3)nc3c2cnn3C)cc1.
What is the InChIKey of 6-N-cyclopentyl-1-methyl-4-N-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is AADMSBIKPWWQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-12-7-9-14(10-8-12)20-16-15-11-19-24(2)17(15)23-18(22-16)21-13-5-3-4-6-13/h7-11,13H,3-6H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 6-N-cyclopentyl-1-methyl-4-N-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-cyclopentyl-1-methyl-4-N-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 322.42 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-1-methyl-4-N-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 44826614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).