5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-2-amine

C16H15N5O2S — CID 53311397

IUPAC5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cnc(N)nc3)c2)cc1
InChIInChI=1S/C16H15N5O2S/c1-24(22,23)13-4-2-10(3-5-13)11-6-14(15(17)19-7-11)12-8-20-16(18)21-9-12/h2-9H,1H3,(H2,17,19)(H2,18,20,21)
InChIKeyXLBVMICOXNAAIE-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.77
Rot. Bonds3

About 5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-2-amine

5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-2-amine (PubChem CID 53311397) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-2-amine
PubChem CID53311397
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cnc(N)nc3)c2)cc1
InChIInChI=1S/C16H15N5O2S/c1-24(22,23)13-4-2-10(3-5-13)11-6-14(15(17)19-7-11)12-8-20-16(18)21-9-12/h2-9H,1H3,(H2,17,19)(H2,18,20,21)
InChIKeyXLBVMICOXNAAIE-UHFFFAOYSA-N
XLogP1.77
TPSA124.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Mmv-048
CID 53311393
2,4-Diaminopyrimidine derivative, 13
CID 11690097
5-(4-Methylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 53259031
4-[2-Amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile
CID 53311136
3-(6-Methyl-3-pyridyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311392
5-(4-Methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 53311566
3,5-Bis(4-methylsulfonylphenyl)pyridin-2-amine
CID 53312146
5-(4-Methylsulfonylphenyl)-3-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 57384535
3-[3-Fluoro-4-(trifluoromethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 57384536
5-(4-Methylsulfonylphenyl)-3-(3-pyridyl)pyridin-2-amine
CID 53311135
3-(2-Methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311217
5-(4-Methylsulfonylphenyl)-3-(6-pyrrolidin-1-yl-3-pyridyl)pyridin-2-amine
CID 53311306

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-2-amine (CID 53311397) is 5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cnc(N)nc3)c2)cc1.
What is the InChIKey of 5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is XLBVMICOXNAAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-24(22,23)13-4-2-10(3-5-13)11-6-14(15(17)19-7-11)12-8-20-16(18)21-9-12/h2-9H,1H3,(H2,17,19)(H2,18,20,21).
What are the key properties of 5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-2-amine?
5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 341.40 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 53311397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).