2-methyl-4-(3-methylphenyl)-6-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

C19H19N7 — CID 42669120

IUPAC2-methyl-4-(3-methylphenyl)-6-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCc1cccc(-c2nc(NCc3cccnc3)nc3nn(C)c(N)c23)c1
InChIInChI=1S/C19H19N7/c1-12-5-3-7-14(9-12)16-15-17(20)26(2)25-18(15)24-19(23-16)22-11-13-6-4-8-21-10-13/h3-10H,11,20H2,1-2H3,(H,22,24,25)
InChIKeyYMQSDZNTORDGRT-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.93
Rot. Bonds4

About 2-methyl-4-(3-methylphenyl)-6-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

2-methyl-4-(3-methylphenyl)-6-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 42669120) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-methyl-4-(3-methylphenyl)-6-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

Compound Name2-methyl-4-(3-methylphenyl)-6-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
PubChem CID42669120
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name2-methyl-4-(3-methylphenyl)-6-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCc1cccc(-c2nc(NCc3cccnc3)nc3nn(C)c(N)c23)c1
InChIInChI=1S/C19H19N7/c1-12-5-3-7-14(9-12)16-15-17(20)26(2)25-18(15)24-19(23-16)22-11-13-6-4-8-21-10-13/h3-10H,11,20H2,1-2H3,(H,22,24,25)
InChIKeyYMQSDZNTORDGRT-UHFFFAOYSA-N
XLogP2.93
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-6-N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668322
4-(2-fluoro-4-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667543
6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine
CID 25337273
2-tert-butyl-6-N-[(3-fluorophenyl)methyl]-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667649
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-(3-phenoxyphenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808508
5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 175651298
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889977
4-(4-chlorophenyl)-2-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808034
5-N-ethyl-5-N-(3-methylphenyl)-3-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112952466
4-(3-chloro-4-fluorophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669484
3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 24538457
4-(3-chlorophenyl)-2-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667385

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylphenyl)-6-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The IUPAC name of 2-methyl-4-(3-methylphenyl)-6-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 42669120) is 2-methyl-4-(3-methylphenyl)-6-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.
What is the SMILES notation for 2-methyl-4-(3-methylphenyl)-6-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The canonical SMILES for 2-methyl-4-(3-methylphenyl)-6-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is Cc1cccc(-c2nc(NCc3cccnc3)nc3nn(C)c(N)c23)c1.
What is the InChIKey of 2-methyl-4-(3-methylphenyl)-6-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The InChIKey is YMQSDZNTORDGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-12-5-3-7-14(9-12)16-15-17(20)26(2)25-18(15)24-19(23-16)22-11-13-6-4-8-21-10-13/h3-10H,11,20H2,1-2H3,(H,22,24,25).
What are the key properties of 2-methyl-4-(3-methylphenyl)-6-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
2-methyl-4-(3-methylphenyl)-6-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 345.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylphenyl)-6-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 42669120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).