2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine

C8H12ClN3O2S — CID 79076599

IUPAC2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1NCCS(C)(=O)=O
InChIInChI=1S/C8H12ClN3O2S/c1-6-5-11-8(9)12-7(6)10-3-4-15(2,13)14/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyORRNYJHDNWQPEW-UHFFFAOYSA-N
MW249.72 g/mol
LogP0.89
Rot. Bonds4

About 2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine

2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine (PubChem CID 79076599) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
PubChem CID79076599
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC Name2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1NCCS(C)(=O)=O
InChIInChI=1S/C8H12ClN3O2S/c1-6-5-11-8(9)12-7(6)10-3-4-15(2,13)14/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyORRNYJHDNWQPEW-UHFFFAOYSA-N
XLogP0.89
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine (CID 79076599) is 2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine is Cc1cnc(Cl)nc1NCCS(C)(=O)=O.
What is the InChIKey of 2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine?
The InChIKey is ORRNYJHDNWQPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S/c1-6-5-11-8(9)12-7(6)10-3-4-15(2,13)14/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine?
2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine has a molecular weight of 249.72 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine is sourced from PubChem (CID 79076599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).