3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylbutan-2-ol

C10H15ClN2OS — CID 107770980

IUPAC3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylbutan-2-ol
SMILESCCc1c(Cl)ncnc1SC(C)C(C)O
InChIInChI=1S/C10H15ClN2OS/c1-4-8-9(11)12-5-13-10(8)15-7(3)6(2)14/h5-7,14H,4H2,1-3H3
InChIKeyMADVKYXNFSKILT-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.55
Rot. Bonds4

About 3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylbutan-2-ol

3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylbutan-2-ol (PubChem CID 107770980) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylbutan-2-ol.

Molecular Properties

Compound Name3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylbutan-2-ol
PubChem CID107770980
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylbutan-2-ol
SMILESCCc1c(Cl)ncnc1SC(C)C(C)O
InChIInChI=1S/C10H15ClN2OS/c1-4-8-9(11)12-5-13-10(8)15-7(3)6(2)14/h5-7,14H,4H2,1-3H3
InChIKeyMADVKYXNFSKILT-UHFFFAOYSA-N
XLogP2.55
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylbutan-2-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-ethylpyrimidin-4-yl)sulfanylbutan-2-ol?
The IUPAC name of 3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylbutan-2-ol (CID 107770980) is 3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylbutan-2-ol.
What is the SMILES notation for 3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylbutan-2-ol?
The canonical SMILES for 3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylbutan-2-ol is CCc1c(Cl)ncnc1SC(C)C(C)O.
What is the InChIKey of 3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylbutan-2-ol?
The InChIKey is MADVKYXNFSKILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-4-8-9(11)12-5-13-10(8)15-7(3)6(2)14/h5-7,14H,4H2,1-3H3.
What are the key properties of 3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylbutan-2-ol?
3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylbutan-2-ol has a molecular weight of 246.76 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylbutan-2-ol is sourced from PubChem (CID 107770980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).