4-chloro-6-methyl-2-(pyrimidin-2-ylsulfanylmethyl)pyrimidine

C10H9ClN4S — CID 80664273

IUPAC4-chloro-6-methyl-2-(pyrimidin-2-ylsulfanylmethyl)pyrimidine
SMILESCc1cc(Cl)nc(CSc2ncccn2)n1
InChIInChI=1S/C10H9ClN4S/c1-7-5-8(11)15-9(14-7)6-16-10-12-3-2-4-13-10/h2-5H,6H2,1H3
InChIKeyYOYLUFCTCLUMQB-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.52
Rot. Bonds3

About 4-chloro-6-methyl-2-(pyrimidin-2-ylsulfanylmethyl)pyrimidine

4-chloro-6-methyl-2-(pyrimidin-2-ylsulfanylmethyl)pyrimidine (PubChem CID 80664273) has the molecular formula C10H9ClN4S and a molecular weight of 252.73 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(pyrimidin-2-ylsulfanylmethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(pyrimidin-2-ylsulfanylmethyl)pyrimidine
PubChem CID80664273
Molecular FormulaC10H9ClN4S
Molecular Weight252.73 g/mol
Exact Mass252.02
IUPAC Name4-chloro-6-methyl-2-(pyrimidin-2-ylsulfanylmethyl)pyrimidine
SMILESCc1cc(Cl)nc(CSc2ncccn2)n1
InChIInChI=1S/C10H9ClN4S/c1-7-5-8(11)15-9(14-7)6-16-10-12-3-2-4-13-10/h2-5H,6H2,1H3
InChIKeyYOYLUFCTCLUMQB-UHFFFAOYSA-N
XLogP2.52
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.52
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-(pyrimidin-2-ylsulfanylmethyl)pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-(pyrimidin-2-ylsulfanylmethyl)pyrimidine (CID 80664273) is 4-chloro-6-methyl-2-(pyrimidin-2-ylsulfanylmethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-(pyrimidin-2-ylsulfanylmethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-(pyrimidin-2-ylsulfanylmethyl)pyrimidine is Cc1cc(Cl)nc(CSc2ncccn2)n1.
What is the InChIKey of 4-chloro-6-methyl-2-(pyrimidin-2-ylsulfanylmethyl)pyrimidine?
The InChIKey is YOYLUFCTCLUMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4S/c1-7-5-8(11)15-9(14-7)6-16-10-12-3-2-4-13-10/h2-5H,6H2,1H3.
What are the key properties of 4-chloro-6-methyl-2-(pyrimidin-2-ylsulfanylmethyl)pyrimidine?
4-chloro-6-methyl-2-(pyrimidin-2-ylsulfanylmethyl)pyrimidine has a molecular weight of 252.73 g/mol, XLogP of 2.52, 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-(pyrimidin-2-ylsulfanylmethyl)pyrimidine is sourced from PubChem (CID 80664273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).