[2-(azetidin-1-yl)-4-(difluoromethyl)pyrimidin-5-yl]methanol

C9H11F2N3O — CID 170542917

IUPAC[2-(azetidin-1-yl)-4-(difluoromethyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(N2CCC2)nc1C(F)F
InChIInChI=1S/C9H11F2N3O/c10-8(11)7-6(5-15)4-12-9(13-7)14-2-1-3-14/h4,8,15H,1-3,5H2
InChIKeyIDVKGCCBJNROGQ-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.12
Rot. Bonds3

About [2-(azetidin-1-yl)-4-(difluoromethyl)pyrimidin-5-yl]methanol

[2-(azetidin-1-yl)-4-(difluoromethyl)pyrimidin-5-yl]methanol (PubChem CID 170542917) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is [2-(azetidin-1-yl)-4-(difluoromethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(azetidin-1-yl)-4-(difluoromethyl)pyrimidin-5-yl]methanol
PubChem CID170542917
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name[2-(azetidin-1-yl)-4-(difluoromethyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(N2CCC2)nc1C(F)F
InChIInChI=1S/C9H11F2N3O/c10-8(11)7-6(5-15)4-12-9(13-7)14-2-1-3-14/h4,8,15H,1-3,5H2
InChIKeyIDVKGCCBJNROGQ-UHFFFAOYSA-N
XLogP1.12
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(difluoromethyl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-N-methylmethanamine
CID 114206934
ethyl 2-(azepan-1-yl)-4-(difluoromethyl)pyrimidine-5-carboxylate
CID 102973232
[4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol
CID 126974118
[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol
CID 83183922
[4-(difluoromethyl)-2-pyridin-4-ylpyrimidin-5-yl]methanol
CID 114205186
[2-(azepan-1-yl)pyrimidin-4-yl]methanol
CID 62749376
ethyl 4-(difluoromethyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 102973247
1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(difluoromethyl)pyrimidin-5-yl]methyl]imidazole-4-carboxylic acid
CID 156825836
[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanol
CID 83184895
[2-(4-ethyl-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol
CID 83184547
[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol
CID 83185063
[2-(azepan-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83186430

Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-yl)-4-(difluoromethyl)pyrimidin-5-yl]methanol?
The IUPAC name of [2-(azetidin-1-yl)-4-(difluoromethyl)pyrimidin-5-yl]methanol (CID 170542917) is [2-(azetidin-1-yl)-4-(difluoromethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(azetidin-1-yl)-4-(difluoromethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-(azetidin-1-yl)-4-(difluoromethyl)pyrimidin-5-yl]methanol is OCc1cnc(N2CCC2)nc1C(F)F.
What is the InChIKey of [2-(azetidin-1-yl)-4-(difluoromethyl)pyrimidin-5-yl]methanol?
The InChIKey is IDVKGCCBJNROGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c10-8(11)7-6(5-15)4-12-9(13-7)14-2-1-3-14/h4,8,15H,1-3,5H2.
What are the key properties of [2-(azetidin-1-yl)-4-(difluoromethyl)pyrimidin-5-yl]methanol?
[2-(azetidin-1-yl)-4-(difluoromethyl)pyrimidin-5-yl]methanol has a molecular weight of 215.20 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azetidin-1-yl)-4-(difluoromethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 170542917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).