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

C19H19ClN4O2S — CID 44591369

IUPAC5-chloro-6-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCCc2ccc(S(C)(=O)=O)cc2)c1Cl
InChIInChI=1S/C19H19ClN4O2S/c1-13-17(20)19(24-18(23-13)16-5-3-4-11-21-16)22-12-10-14-6-8-15(9-7-14)27(2,25)26/h3-9,11H,10,12H2,1-2H3,(H,22,23,24)
InChIKeyUYLYXPZYFFLBLV-UHFFFAOYSA-N
MW402.91 g/mol
LogP3.56
Rot. Bonds6

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

5-chloro-6-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 44591369) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is 5-chloro-6-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID44591369
Molecular FormulaC19H19ClN4O2S
Molecular Weight402.91 g/mol
Exact Mass402.09
IUPAC Name5-chloro-6-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCCc2ccc(S(C)(=O)=O)cc2)c1Cl
InChIInChI=1S/C19H19ClN4O2S/c1-13-17(20)19(24-18(23-13)16-5-3-4-11-21-16)22-12-10-14-6-8-15(9-7-14)27(2,25)26/h3-9,11H,10,12H2,1-2H3,(H,22,23,24)
InChIKeyUYLYXPZYFFLBLV-UHFFFAOYSA-N
XLogP3.56
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 53.56
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-[2-(4-methylsulfonylphenyl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-chloro-6-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine (CID 44591369) is 5-chloro-6-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine is Cc1nc(-c2ccccn2)nc(NCCc2ccc(S(C)(=O)=O)cc2)c1Cl.
What is the InChIKey of 5-chloro-6-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is UYLYXPZYFFLBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c1-13-17(20)19(24-18(23-13)16-5-3-4-11-21-16)22-12-10-14-6-8-15(9-7-14)27(2,25)26/h3-9,11H,10,12H2,1-2H3,(H,22,23,24).
What are the key properties of 5-chloro-6-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine?
5-chloro-6-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 402.91 g/mol, XLogP of 3.56, 6 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-[2-(4-methylsulfonylphenyl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 44591369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).