[4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methanol

C12H11F2N3O — CID 114205178

IUPAC[4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(Cc2ccccn2)nc1C(F)F
InChIInChI=1S/C12H11F2N3O/c13-12(14)11-8(7-18)6-16-10(17-11)5-9-3-1-2-4-15-9/h1-4,6,12,18H,5,7H2
InChIKeyFEDRSTWDMJDUNL-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.89
Rot. Bonds4

About [4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methanol

[4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methanol (PubChem CID 114205178) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methanol
PubChem CID114205178
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name[4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(Cc2ccccn2)nc1C(F)F
InChIInChI=1S/C12H11F2N3O/c13-12(14)11-8(7-18)6-16-10(17-11)5-9-3-1-2-4-15-9/h1-4,6,12,18H,5,7H2
InChIKeyFEDRSTWDMJDUNL-UHFFFAOYSA-N
XLogP1.89
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(difluoromethyl)-2-(pyridin-2-ylmethyl)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

5-(chloromethyl)-4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidine
CID 114205492
[4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol
CID 126974118
N-methyl-1-[4-methyl-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62769957
pyridin-2-ylmethanol;vanadium
CID 176962038
[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]methanol
CID 63108335
N-methyl-1-[5-methyl-2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methanamine
CID 114245179
2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine
CID 134267009
ethane;pyridin-2-ylmethanol
CID 91461493
N-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62757130
2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62747219
2-(fluoromethyl)pyridine;hydroiodide
CID 173061202
1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine
CID 55113743

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methanol?
The IUPAC name of [4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methanol (CID 114205178) is [4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methanol is OCc1cnc(Cc2ccccn2)nc1C(F)F.
What is the InChIKey of [4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methanol?
The InChIKey is FEDRSTWDMJDUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c13-12(14)11-8(7-18)6-16-10(17-11)5-9-3-1-2-4-15-9/h1-4,6,12,18H,5,7H2.
What are the key properties of [4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methanol?
[4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methanol has a molecular weight of 251.24 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 114205178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).