3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylbutan-1-ol

C12H19ClN2OS — CID 80978719

IUPAC3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylbutan-1-ol
SMILESCCCc1nc(Cl)c(C)c(SC(C)CCO)n1
InChIInChI=1S/C12H19ClN2OS/c1-4-5-10-14-11(13)9(3)12(15-10)17-8(2)6-7-16/h8,16H,4-7H2,1-3H3
InChIKeyVEYNECLXMJTCIH-UHFFFAOYSA-N
MW274.82 g/mol
LogP3.25
Rot. Bonds6

About 3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylbutan-1-ol

3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylbutan-1-ol (PubChem CID 80978719) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is 3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylbutan-1-ol
PubChem CID80978719
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylbutan-1-ol
SMILESCCCc1nc(Cl)c(C)c(SC(C)CCO)n1
InChIInChI=1S/C12H19ClN2OS/c1-4-5-10-14-11(13)9(3)12(15-10)17-8(2)6-7-16/h8,16H,4-7H2,1-3H3
InChIKeyVEYNECLXMJTCIH-UHFFFAOYSA-N
XLogP3.25
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylbutan-1-ol?
The IUPAC name of 3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylbutan-1-ol (CID 80978719) is 3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylbutan-1-ol.
What is the SMILES notation for 3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylbutan-1-ol?
The canonical SMILES for 3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylbutan-1-ol is CCCc1nc(Cl)c(C)c(SC(C)CCO)n1.
What is the InChIKey of 3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylbutan-1-ol?
The InChIKey is VEYNECLXMJTCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2OS/c1-4-5-10-14-11(13)9(3)12(15-10)17-8(2)6-7-16/h8,16H,4-7H2,1-3H3.
What are the key properties of 3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylbutan-1-ol?
3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylbutan-1-ol has a molecular weight of 274.82 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylbutan-1-ol is sourced from PubChem (CID 80978719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).