2-N-(4-methyl-3-methylsulfonylphenyl)-4-N-(5-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-2,4-diamine

C19H19N7O2S — CID 71224815

IUPAC2-N-(4-methyl-3-methylsulfonylphenyl)-4-N-(5-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-2,4-diamine
SMILESCc1cnc2n[nH]c(Nc3ccnc(Nc4ccc(C)c(S(C)(=O)=O)c4)n3)c2c1
InChIInChI=1S/C19H19N7O2S/c1-11-8-14-17(21-10-11)25-26-18(14)23-16-6-7-20-19(24-16)22-13-5-4-12(2)15(9-13)29(3,27)28/h4-10H,1-3H3,(H3,20,21,22,23,24,25,26)
InChIKeyJNPJQDKMLCXTLH-UHFFFAOYSA-N
MW409.48 g/mol
LogP3.26
Rot. Bonds5

About 2-N-(4-methyl-3-methylsulfonylphenyl)-4-N-(5-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-2,4-diamine

2-N-(4-methyl-3-methylsulfonylphenyl)-4-N-(5-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-2,4-diamine (PubChem CID 71224815) has the molecular formula C19H19N7O2S and a molecular weight of 409.48 g/mol. Its IUPAC name is 2-N-(4-methyl-3-methylsulfonylphenyl)-4-N-(5-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methyl-3-methylsulfonylphenyl)-4-N-(5-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-2,4-diamine
PubChem CID71224815
Molecular FormulaC19H19N7O2S
Molecular Weight409.48 g/mol
Exact Mass409.13
IUPAC Name2-N-(4-methyl-3-methylsulfonylphenyl)-4-N-(5-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-2,4-diamine
SMILESCc1cnc2n[nH]c(Nc3ccnc(Nc4ccc(C)c(S(C)(=O)=O)c4)n3)c2c1
InChIInChI=1S/C19H19N7O2S/c1-11-8-14-17(21-10-11)25-26-18(14)23-16-6-7-20-19(24-16)22-13-5-4-12(2)15(9-13)29(3,27)28/h4-10H,1-3H3,(H3,20,21,22,23,24,25,26)
InChIKeyJNPJQDKMLCXTLH-UHFFFAOYSA-N
XLogP3.26
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(4-fluoro-3-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 53475872
4-N-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-N-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 67435402
4-N-(5,6-difluoro-1H-indazol-3-yl)-4-N-methyl-2-N-(4-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 53469844
4-N-(5-fluoro-1H-indazol-3-yl)-2-N-(4-fluoro-3-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 71224884
2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 71671107
4-[[4-(3,4-dimethylanilino)pyrimidin-2-yl]amino]benzenesulfonyl chloride
CID 143391612
N-[3-[[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
CID 71225292
5-N,1-dimethyl-4-[2-(4-methyl-3-methylsulfonylanilino)pyrimidin-4-yl]-2-N-phenylbenzimidazole-2,5-diamine
CID 69264675
2-methyl-5-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 10202534
5-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-N-(4-methyl-3-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 67419826
4-N-(5,6-difluoro-1H-indazol-3-yl)-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 53469647
3-[[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 53475873

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methyl-3-methylsulfonylphenyl)-4-N-(5-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-methyl-3-methylsulfonylphenyl)-4-N-(5-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-2,4-diamine (CID 71224815) is 2-N-(4-methyl-3-methylsulfonylphenyl)-4-N-(5-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-methyl-3-methylsulfonylphenyl)-4-N-(5-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-methyl-3-methylsulfonylphenyl)-4-N-(5-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-2,4-diamine is Cc1cnc2n[nH]c(Nc3ccnc(Nc4ccc(C)c(S(C)(=O)=O)c4)n3)c2c1.
What is the InChIKey of 2-N-(4-methyl-3-methylsulfonylphenyl)-4-N-(5-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-2,4-diamine?
The InChIKey is JNPJQDKMLCXTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2S/c1-11-8-14-17(21-10-11)25-26-18(14)23-16-6-7-20-19(24-16)22-13-5-4-12(2)15(9-13)29(3,27)28/h4-10H,1-3H3,(H3,20,21,22,23,24,25,26).
What are the key properties of 2-N-(4-methyl-3-methylsulfonylphenyl)-4-N-(5-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-2,4-diamine?
2-N-(4-methyl-3-methylsulfonylphenyl)-4-N-(5-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-2,4-diamine has a molecular weight of 409.48 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methyl-3-methylsulfonylphenyl)-4-N-(5-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71224815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).