4-(3-chlorophenyl)-2-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine

C13H12ClN5O2S — CID 42667385

IUPAC4-(3-chlorophenyl)-2-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCn1nc2nc(S(C)(=O)=O)nc(-c3cccc(Cl)c3)c2c1N
InChIInChI=1S/C13H12ClN5O2S/c1-19-11(15)9-10(7-4-3-5-8(14)6-7)16-13(22(2,20)21)17-12(9)18-19/h3-6H,15H2,1-2H3
InChIKeyRJDHOKSFACBNMW-UHFFFAOYSA-N
MW337.79 g/mol
LogP1.67
Rot. Bonds2

About 4-(3-chlorophenyl)-2-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine

4-(3-chlorophenyl)-2-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42667385) has the molecular formula C13H12ClN5O2S and a molecular weight of 337.79 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42667385
Molecular FormulaC13H12ClN5O2S
Molecular Weight337.79 g/mol
Exact Mass337.04
IUPAC Name4-(3-chlorophenyl)-2-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCn1nc2nc(S(C)(=O)=O)nc(-c3cccc(Cl)c3)c2c1N
InChIInChI=1S/C13H12ClN5O2S/c1-19-11(15)9-10(7-4-3-5-8(14)6-7)16-13(22(2,20)21)17-12(9)18-19/h3-6H,15H2,1-2H3
InChIKeyRJDHOKSFACBNMW-UHFFFAOYSA-N
XLogP1.67
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-chlorophenyl)-2-(4-fluorophenyl)-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42807583
4-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667376
4-(3,4-dimethoxyphenyl)-2-(3-methylphenyl)-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42807564
5-(3-chlorophenyl)-3-methylimidazol-4-amine
CID 53275817
2-(4-chlorophenyl)-4-(2-methoxyphenyl)-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667335
4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43158527
2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42668625
2-benzyl-4-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668598
4-(3-chlorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42668645
3-(3-chlorophenyl)-4-methylsulfonyl-1H-pyrrole
CID 71412989
4-(3-chloro-4-fluorophenyl)-6-N-cyclopentyl-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669507
5-(3-chlorophenyl)-2-ethyl-3-methylimidazol-4-amine
CID 62226374

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 4-(3-chlorophenyl)-2-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine (CID 42667385) is 4-(3-chlorophenyl)-2-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-2-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 4-(3-chlorophenyl)-2-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine is Cn1nc2nc(S(C)(=O)=O)nc(-c3cccc(Cl)c3)c2c1N.
What is the InChIKey of 4-(3-chlorophenyl)-2-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is RJDHOKSFACBNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O2S/c1-19-11(15)9-10(7-4-3-5-8(14)6-7)16-13(22(2,20)21)17-12(9)18-19/h3-6H,15H2,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-2-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine?
4-(3-chlorophenyl)-2-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 337.79 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42667385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).