5-methylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine

C10H10N4O2S — CID 1488239

IUPAC5-methylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCS(=O)(=O)c1cnc(-c2cccnc2)nc1N
InChIInChI=1S/C10H10N4O2S/c1-17(15,16)8-6-13-10(14-9(8)11)7-3-2-4-12-5-7/h2-6H,1H3,(H2,11,13,14)
InChIKeyALMCOMVHBIBDCW-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.52
Rot. Bonds2

About 5-methylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine

5-methylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 1488239) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 5-methylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID1488239
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name5-methylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCS(=O)(=O)c1cnc(-c2cccnc2)nc1N
InChIInChI=1S/C10H10N4O2S/c1-17(15,16)8-6-13-10(14-9(8)11)7-3-2-4-12-5-7/h2-6H,1H3,(H2,11,13,14)
InChIKeyALMCOMVHBIBDCW-UHFFFAOYSA-N
XLogP0.52
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 5-methylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine (CID 1488239) is 5-methylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-methylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine is CS(=O)(=O)c1cnc(-c2cccnc2)nc1N.
What is the InChIKey of 5-methylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is ALMCOMVHBIBDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-17(15,16)8-6-13-10(14-9(8)11)7-3-2-4-12-5-7/h2-6H,1H3,(H2,11,13,14).
What are the key properties of 5-methylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine?
5-methylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 250.28 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 1488239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).