2-[4-(3,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol

C14H14F2N2O — CID 116895713

IUPAC2-[4-(3,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol
SMILESCc1cc(-c2ccc(F)c(F)c2)nc(C(C)(C)O)n1
InChIInChI=1S/C14H14F2N2O/c1-8-6-12(18-13(17-8)14(2,3)19)9-4-5-10(15)11(16)7-9/h4-7,19H,1-3H3
InChIKeyWHDJVPSASSUUER-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.96
Rot. Bonds2

About 2-[4-(3,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol

2-[4-(3,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol (PubChem CID 116895713) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(3,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol
PubChem CID116895713
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[4-(3,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol
SMILESCc1cc(-c2ccc(F)c(F)c2)nc(C(C)(C)O)n1
InChIInChI=1S/C14H14F2N2O/c1-8-6-12(18-13(17-8)14(2,3)19)9-4-5-10(15)11(16)7-9/h4-7,19H,1-3H3
InChIKeyWHDJVPSASSUUER-UHFFFAOYSA-N
XLogP2.96
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol
CID 116895699
4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine
CID 39819363
2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol
CID 116895714
2-(chloromethyl)-4-(3,4-difluorophenyl)-6-methylpyrimidine
CID 116893696
2-(3,4-difluorophenyl)-6-methylpyridine
CID 67475001
2-[2-(3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 116886628
1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone
CID 116895335
4-methyl-6-phenyl-2-(trifluoromethyl)pyrimidine
CID 116896751
2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
CID 116867953
N-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine
CID 107290514
4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine
CID 116896805
6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69038091

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol?
The IUPAC name of 2-[4-(3,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol (CID 116895713) is 2-[4-(3,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(3,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-(3,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol is Cc1cc(-c2ccc(F)c(F)c2)nc(C(C)(C)O)n1.
What is the InChIKey of 2-[4-(3,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol?
The InChIKey is WHDJVPSASSUUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-8-6-12(18-13(17-8)14(2,3)19)9-4-5-10(15)11(16)7-9/h4-7,19H,1-3H3.
What are the key properties of 2-[4-(3,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol?
2-[4-(3,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol has a molecular weight of 264.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 116895713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).