[5-(2-chloro-5-methylpyrimidin-4-yl)thiophen-2-yl]methanol

C10H9ClN2OS — CID 87602820

IUPAC[5-(2-chloro-5-methylpyrimidin-4-yl)thiophen-2-yl]methanol
SMILESCc1cnc(Cl)nc1-c1ccc(CO)s1
InChIInChI=1S/C10H9ClN2OS/c1-6-4-12-10(11)13-9(6)8-3-2-7(5-14)15-8/h2-4,14H,5H2,1H3
InChIKeyLMDWLRSQRFAOPW-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.66
Rot. Bonds2

About [5-(2-chloro-5-methylpyrimidin-4-yl)thiophen-2-yl]methanol

[5-(2-chloro-5-methylpyrimidin-4-yl)thiophen-2-yl]methanol (PubChem CID 87602820) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is [5-(2-chloro-5-methylpyrimidin-4-yl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-chloro-5-methylpyrimidin-4-yl)thiophen-2-yl]methanol
PubChem CID87602820
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name[5-(2-chloro-5-methylpyrimidin-4-yl)thiophen-2-yl]methanol
SMILESCc1cnc(Cl)nc1-c1ccc(CO)s1
InChIInChI=1S/C10H9ClN2OS/c1-6-4-12-10(11)13-9(6)8-3-2-7(5-14)15-8/h2-4,14H,5H2,1H3
InChIKeyLMDWLRSQRFAOPW-UHFFFAOYSA-N
XLogP2.66
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(2-chloro-5-methylpyrimidin-4-yl)thiophen-2-yl]methanol 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 [5-(2-chloro-5-methylpyrimidin-4-yl)thiophen-2-yl]methanol?
The IUPAC name of [5-(2-chloro-5-methylpyrimidin-4-yl)thiophen-2-yl]methanol (CID 87602820) is [5-(2-chloro-5-methylpyrimidin-4-yl)thiophen-2-yl]methanol.
What is the SMILES notation for [5-(2-chloro-5-methylpyrimidin-4-yl)thiophen-2-yl]methanol?
The canonical SMILES for [5-(2-chloro-5-methylpyrimidin-4-yl)thiophen-2-yl]methanol is Cc1cnc(Cl)nc1-c1ccc(CO)s1.
What is the InChIKey of [5-(2-chloro-5-methylpyrimidin-4-yl)thiophen-2-yl]methanol?
The InChIKey is LMDWLRSQRFAOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-6-4-12-10(11)13-9(6)8-3-2-7(5-14)15-8/h2-4,14H,5H2,1H3.
What are the key properties of [5-(2-chloro-5-methylpyrimidin-4-yl)thiophen-2-yl]methanol?
[5-(2-chloro-5-methylpyrimidin-4-yl)thiophen-2-yl]methanol has a molecular weight of 240.72 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-5-methylpyrimidin-4-yl)thiophen-2-yl]methanol is sourced from PubChem (CID 87602820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).