4-chloro-6-methyl-2-methylsulfanyl-1,2-dihydropyrimidine

C6H9ClN2S — CID 20707045

IUPAC4-chloro-6-methyl-2-methylsulfanyl-1,2-dihydropyrimidine
SMILESCSC1N=C(Cl)C=C(C)N1
InChIInChI=1S/C6H9ClN2S/c1-4-3-5(7)9-6(8-4)10-2/h3,6,8H,1-2H3
InChIKeyGPUJMLCFYMTJMV-UHFFFAOYSA-N
MW176.67 g/mol
LogP1.78
Rot. Bonds1

About 4-chloro-6-methyl-2-methylsulfanyl-1,2-dihydropyrimidine

4-chloro-6-methyl-2-methylsulfanyl-1,2-dihydropyrimidine (PubChem CID 20707045) has the molecular formula C6H9ClN2S and a molecular weight of 176.67 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-methylsulfanyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-methylsulfanyl-1,2-dihydropyrimidine
PubChem CID20707045
Molecular FormulaC6H9ClN2S
Molecular Weight176.67 g/mol
Exact Mass176.02
IUPAC Name4-chloro-6-methyl-2-methylsulfanyl-1,2-dihydropyrimidine
SMILESCSC1N=C(Cl)C=C(C)N1
InChIInChI=1S/C6H9ClN2S/c1-4-3-5(7)9-6(8-4)10-2/h3,6,8H,1-2H3
InChIKeyGPUJMLCFYMTJMV-UHFFFAOYSA-N
XLogP1.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.67
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-methylsulfanyl-1,2-dihydropyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-methylsulfanyl-1,2-dihydropyrimidine (CID 20707045) is 4-chloro-6-methyl-2-methylsulfanyl-1,2-dihydropyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-methylsulfanyl-1,2-dihydropyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-methylsulfanyl-1,2-dihydropyrimidine is CSC1N=C(Cl)C=C(C)N1.
What is the InChIKey of 4-chloro-6-methyl-2-methylsulfanyl-1,2-dihydropyrimidine?
The InChIKey is GPUJMLCFYMTJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2S/c1-4-3-5(7)9-6(8-4)10-2/h3,6,8H,1-2H3.
What are the key properties of 4-chloro-6-methyl-2-methylsulfanyl-1,2-dihydropyrimidine?
4-chloro-6-methyl-2-methylsulfanyl-1,2-dihydropyrimidine has a molecular weight of 176.67 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-methylsulfanyl-1,2-dihydropyrimidine is sourced from PubChem (CID 20707045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).