[2,4-dichloro-6-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol

C12H9Cl2FN2O — CID 58075825

IUPAC[2,4-dichloro-6-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol
SMILESOCc1c(Cl)nc(Cl)nc1Cc1ccc(F)cc1
InChIInChI=1S/C12H9Cl2FN2O/c13-11-9(6-18)10(16-12(14)17-11)5-7-1-3-8(15)4-2-7/h1-4,18H,5-6H2
InChIKeyFPBLPZMJXVXKKE-UHFFFAOYSA-N
MW287.12 g/mol
LogP3.01
Rot. Bonds3

About [2,4-dichloro-6-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol

[2,4-dichloro-6-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol (PubChem CID 58075825) has the molecular formula C12H9Cl2FN2O and a molecular weight of 287.12 g/mol. Its IUPAC name is [2,4-dichloro-6-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2,4-dichloro-6-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol
PubChem CID58075825
Molecular FormulaC12H9Cl2FN2O
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name[2,4-dichloro-6-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol
SMILESOCc1c(Cl)nc(Cl)nc1Cc1ccc(F)cc1
InChIInChI=1S/C12H9Cl2FN2O/c13-11-9(6-18)10(16-12(14)17-11)5-7-1-3-8(15)4-2-7/h1-4,18H,5-6H2
InChIKeyFPBLPZMJXVXKKE-UHFFFAOYSA-N
XLogP3.01
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2,4-dichloro-6-[(4-fluorophenyl)methyl]pyrimidin-5-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

Related Compounds

3-(2,6-Diamino-5-(3-chlorophenyl)pyrimidin-4-yl)propan-1-ol
CID 11369471
1-[2,6-Diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethanol
CID 323915
5-[2,6-Diamino-5-(4-chlorophenyl)pyrimidin-4-yl]pentan-1-ol
CID 44423945
{2-[5,6-Dimethyl-2-(trifluoromethyl)pyrimidin-4-YL]phenyl}methanol
CID 56710226
4-(4-Fluorophenyl)-2,6-dimethyl-5-pyrimidinemethanol
CID 14513885
[4-(4-Fluorophenyl)-6-methyl-2-phenylpyrimidin-5-yl]methanol
CID 14513894
[4-(4-Fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]methanol
CID 14513900
[4-[Chloro(difluoro)methyl]pyrimidin-5-yl]-(4-chlorophenyl)methanol
CID 19074088
[2-(Dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol
CID 21624848
4-(4-Fluorophenyl)-5-hydroxymethyl-6-isopropyl-2-methylthiopyrimidine
CID 29980411
(2-Chloro-4-(4-fluorophenyl)-6-isopropylpyrimidin-5-yl)methanol
CID 44595748
[4-(4-Fluorophenyl)pyrimidin-5-yl]methanol
CID 46941732

Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-6-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol?
The IUPAC name of [2,4-dichloro-6-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol (CID 58075825) is [2,4-dichloro-6-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol.
What is the SMILES notation for [2,4-dichloro-6-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol?
The canonical SMILES for [2,4-dichloro-6-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol is OCc1c(Cl)nc(Cl)nc1Cc1ccc(F)cc1.
What is the InChIKey of [2,4-dichloro-6-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol?
The InChIKey is FPBLPZMJXVXKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O/c13-11-9(6-18)10(16-12(14)17-11)5-7-1-3-8(15)4-2-7/h1-4,18H,5-6H2.
What are the key properties of [2,4-dichloro-6-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol?
[2,4-dichloro-6-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol has a molecular weight of 287.12 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dichloro-6-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol is sourced from PubChem (CID 58075825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).