4-chloro-6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidine

C11H11ClN4S — CID 80664275

IUPAC4-chloro-6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidine
SMILESCc1cnc(SCc2nc(C)cc(Cl)n2)nc1
InChIInChI=1S/C11H11ClN4S/c1-7-4-13-11(14-5-7)17-6-10-15-8(2)3-9(12)16-10/h3-5H,6H2,1-2H3
InChIKeyYNRQCJYLKZQKJF-UHFFFAOYSA-N
MW266.76 g/mol
LogP2.83
Rot. Bonds3

About 4-chloro-6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidine

4-chloro-6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidine (PubChem CID 80664275) has the molecular formula C11H11ClN4S and a molecular weight of 266.76 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidine
PubChem CID80664275
Molecular FormulaC11H11ClN4S
Molecular Weight266.76 g/mol
Exact Mass266.04
IUPAC Name4-chloro-6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidine
SMILESCc1cnc(SCc2nc(C)cc(Cl)n2)nc1
InChIInChI=1S/C11H11ClN4S/c1-7-4-13-11(14-5-7)17-6-10-15-8(2)3-9(12)16-10/h3-5H,6H2,1-2H3
InChIKeyYNRQCJYLKZQKJF-UHFFFAOYSA-N
XLogP2.83
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.76
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidine (CID 80664275) is 4-chloro-6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidine is Cc1cnc(SCc2nc(C)cc(Cl)n2)nc1.
What is the InChIKey of 4-chloro-6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidine?
The InChIKey is YNRQCJYLKZQKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4S/c1-7-4-13-11(14-5-7)17-6-10-15-8(2)3-9(12)16-10/h3-5H,6H2,1-2H3.
What are the key properties of 4-chloro-6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidine?
4-chloro-6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidine has a molecular weight of 266.76 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidine is sourced from PubChem (CID 80664275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).