5-chloro-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine

C18H17ClN4O2S — CID 44591368

IUPAC5-chloro-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCc2ccc(S(C)(=O)=O)cc2)c1Cl
InChIInChI=1S/C18H17ClN4O2S/c1-12-16(19)18(23-17(22-12)15-5-3-4-10-20-15)21-11-13-6-8-14(9-7-13)26(2,24)25/h3-10H,11H2,1-2H3,(H,21,22,23)
InChIKeyIEGWGIXCQGRIOH-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.52
Rot. Bonds5

About 5-chloro-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine

5-chloro-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 44591368) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is 5-chloro-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID44591368
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC Name5-chloro-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCc2ccc(S(C)(=O)=O)cc2)c1Cl
InChIInChI=1S/C18H17ClN4O2S/c1-12-16(19)18(23-17(22-12)15-5-3-4-10-20-15)21-11-13-6-8-14(9-7-13)26(2,24)25/h3-10H,11H2,1-2H3,(H,21,22,23)
InChIKeyIEGWGIXCQGRIOH-UHFFFAOYSA-N
XLogP3.52
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-chloro-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine (CID 44591368) is 5-chloro-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine is Cc1nc(-c2ccccn2)nc(NCc2ccc(S(C)(=O)=O)cc2)c1Cl.
What is the InChIKey of 5-chloro-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is IEGWGIXCQGRIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c1-12-16(19)18(23-17(22-12)15-5-3-4-10-20-15)21-11-13-6-8-14(9-7-13)26(2,24)25/h3-10H,11H2,1-2H3,(H,21,22,23).
What are the key properties of 5-chloro-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine?
5-chloro-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 388.88 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 44591368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).