(5-chlorothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanol

C10H9ClN2OS — CID 115527974

IUPAC(5-chlorothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanol
SMILESCc1nccc(C(O)c2ccc(Cl)s2)n1
InChIInChI=1S/C10H9ClN2OS/c1-6-12-5-4-7(13-6)10(14)8-2-3-9(11)15-8/h2-5,10,14H,1H3
InChIKeyJNWHEDTUOKIRSQ-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.58
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanol

(5-chlorothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanol (PubChem CID 115527974) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanol
PubChem CID115527974
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name(5-chlorothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanol
SMILESCc1nccc(C(O)c2ccc(Cl)s2)n1
InChIInChI=1S/C10H9ClN2OS/c1-6-12-5-4-7(13-6)10(14)8-2-3-9(11)15-8/h2-5,10,14H,1H3
InChIKeyJNWHEDTUOKIRSQ-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chlorothiophen-2-yl)-pyridin-2-ylmethanol
CID 79021425
(2-chlorophenyl)-(2-methylpyrimidin-4-yl)methanol
CID 115527894
furan-3-yl-(2-methylpyrimidin-4-yl)methanol
CID 115528038
(2R)-2-(5-chlorothiophen-2-yl)-N-(4-methylpyrimidin-2-yl)propanamide
CID 99842071
4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol
CID 63200606
(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol
CID 61089121
(2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol
CID 115527954
4-(3-chlorobutan-2-yl)-2-methylpyrimidine
CID 63203304
(5-chlorothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol
CID 114938025
(2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 115527988
(3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol
CID 115527861
1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol
CID 61088930

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanol?
The IUPAC name of (5-chlorothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanol (CID 115527974) is (5-chlorothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanol is Cc1nccc(C(O)c2ccc(Cl)s2)n1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanol?
The InChIKey is JNWHEDTUOKIRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-6-12-5-4-7(13-6)10(14)8-2-3-9(11)15-8/h2-5,10,14H,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanol?
(5-chlorothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanol has a molecular weight of 240.72 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanol is sourced from PubChem (CID 115527974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).