3-amino-6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

C21H22N6O — CID 10761943

IUPAC3-amino-6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCc1ccc(Nc2nc3n[nH]c(N)c3c(=O)n2-c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C21H22N6O/c1-11-5-7-15(13(3)9-11)23-21-24-19-17(18(22)25-26-19)20(28)27(21)16-8-6-12(2)10-14(16)4/h5-10H,1-4H3,(H4,22,23,24,25,26)
InChIKeyUNPDHBUOELVZRY-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.67
Rot. Bonds3

About 3-amino-6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

3-amino-6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 10761943) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 3-amino-6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID10761943
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name3-amino-6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCc1ccc(Nc2nc3n[nH]c(N)c3c(=O)n2-c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C21H22N6O/c1-11-5-7-15(13(3)9-11)23-21-24-19-17(18(22)25-26-19)20(28)27(21)16-8-6-12(2)10-14(16)4/h5-10H,1-4H3,(H4,22,23,24,25,26)
InChIKeyUNPDHBUOELVZRY-UHFFFAOYSA-N
XLogP3.67
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 10765336
2-amino-1-(2,4-dimethylphenyl)-7H-purin-6-one
CID 123912992
N,1-bis(2,4-dimethylphenyl)tetrazol-5-amine
CID 12569677
4-(2,4-dimethylphenyl)-3-pyrazin-2-yl-1H-1,2,4-triazol-5-one
CID 71474968
3-N-(2,4-dimethylphenyl)-4-methylpyridine-2,3-diamine
CID 70397707
4-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 45078985
N-(2,4-dimethylphenyl)-1H-pyrazol-5-amine
CID 90804620
2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine
CID 115550017
4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 83153410
3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
CID 8984212
2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 29067178
2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one
CID 69101971

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-amino-6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one (CID 10761943) is 3-amino-6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one is Cc1ccc(Nc2nc3n[nH]c(N)c3c(=O)n2-c2ccc(C)cc2C)c(C)c1.
What is the InChIKey of 3-amino-6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is UNPDHBUOELVZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-11-5-7-15(13(3)9-11)23-21-24-19-17(18(22)25-26-19)20(28)27(21)16-8-6-12(2)10-14(16)4/h5-10H,1-4H3,(H4,22,23,24,25,26).
What are the key properties of 3-amino-6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one?
3-amino-6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 374.45 g/mol, XLogP of 3.67, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 10761943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).