[2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol

C13H13ClN2O2 — CID 106819856

IUPAC[2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol
SMILESCOc1cc(Cl)ccc1-c1nc(C)cc(CO)n1
InChIInChI=1S/C13H13ClN2O2/c1-8-5-10(7-17)16-13(15-8)11-4-3-9(14)6-12(11)18-2/h3-6,17H,7H2,1-2H3
InChIKeyMEMGMTZCJDCMLM-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.61
Rot. Bonds3

About [2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol

[2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol (PubChem CID 106819856) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is [2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol
PubChem CID106819856
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name[2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol
SMILESCOc1cc(Cl)ccc1-c1nc(C)cc(CO)n1
InChIInChI=1S/C13H13ClN2O2/c1-8-5-10(7-17)16-13(15-8)11-4-3-9(14)6-12(11)18-2/h3-6,17H,7H2,1-2H3
InChIKeyMEMGMTZCJDCMLM-UHFFFAOYSA-N
XLogP2.61
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 106819838
[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol
CID 107923081
4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine
CID 62744844
methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 106820046
5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine
CID 174107373
[3-(4-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 106819878
4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline
CID 63085175
2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 106819704
2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine
CID 64983776
5-bromo-2-(4-chloro-2-methoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106819708
ethyl 2-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 106818962
2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 106820049

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol?
The IUPAC name of [2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol (CID 106819856) is [2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol?
The canonical SMILES for [2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol is COc1cc(Cl)ccc1-c1nc(C)cc(CO)n1.
What is the InChIKey of [2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol?
The InChIKey is MEMGMTZCJDCMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8-5-10(7-17)16-13(15-8)11-4-3-9(14)6-12(11)18-2/h3-6,17H,7H2,1-2H3.
What are the key properties of [2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol?
[2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol has a molecular weight of 264.71 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol is sourced from PubChem (CID 106819856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).