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

C12H16F2N2O2 — CID 114205195

IUPAC[4-(difluoromethyl)-2-(oxan-2-ylmethyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(CC2CCCCO2)nc1C(F)F
InChIInChI=1S/C12H16F2N2O2/c13-12(14)11-8(7-17)6-15-10(16-11)5-9-3-1-2-4-18-9/h6,9,12,17H,1-5,7H2
InChIKeyUWVAJGNLGYZTBJ-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.02
Rot. Bonds4

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

[4-(difluoromethyl)-2-(oxan-2-ylmethyl)pyrimidin-5-yl]methanol (PubChem CID 114205195) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-(oxan-2-ylmethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-(oxan-2-ylmethyl)pyrimidin-5-yl]methanol
PubChem CID114205195
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name[4-(difluoromethyl)-2-(oxan-2-ylmethyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(CC2CCCCO2)nc1C(F)F
InChIInChI=1S/C12H16F2N2O2/c13-12(14)11-8(7-17)6-15-10(16-11)5-9-3-1-2-4-18-9/h6,9,12,17H,1-5,7H2
InChIKeyUWVAJGNLGYZTBJ-UHFFFAOYSA-N
XLogP2.02
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-(oxan-2-ylmethyl)pyrimidin-5-yl]methanol?
The IUPAC name of [4-(difluoromethyl)-2-(oxan-2-ylmethyl)pyrimidin-5-yl]methanol (CID 114205195) is [4-(difluoromethyl)-2-(oxan-2-ylmethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-2-(oxan-2-ylmethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-(difluoromethyl)-2-(oxan-2-ylmethyl)pyrimidin-5-yl]methanol is OCc1cnc(CC2CCCCO2)nc1C(F)F.
What is the InChIKey of [4-(difluoromethyl)-2-(oxan-2-ylmethyl)pyrimidin-5-yl]methanol?
The InChIKey is UWVAJGNLGYZTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c13-12(14)11-8(7-17)6-15-10(16-11)5-9-3-1-2-4-18-9/h6,9,12,17H,1-5,7H2.
What are the key properties of [4-(difluoromethyl)-2-(oxan-2-ylmethyl)pyrimidin-5-yl]methanol?
[4-(difluoromethyl)-2-(oxan-2-ylmethyl)pyrimidin-5-yl]methanol has a molecular weight of 258.27 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-(oxan-2-ylmethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 114205195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).