[4-(difluoromethyl)-2-(oxan-3-yl)pyrimidin-5-yl]methanol

C11H14F2N2O2 — CID 114205182

IUPAC[4-(difluoromethyl)-2-(oxan-3-yl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(C2CCCOC2)nc1C(F)F
InChIInChI=1S/C11H14F2N2O2/c12-10(13)9-8(5-16)4-14-11(15-9)7-2-1-3-17-6-7/h4,7,10,16H,1-3,5-6H2
InChIKeySQYHSTUHUHKMOI-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.80
Rot. Bonds3

About [4-(difluoromethyl)-2-(oxan-3-yl)pyrimidin-5-yl]methanol

[4-(difluoromethyl)-2-(oxan-3-yl)pyrimidin-5-yl]methanol (PubChem CID 114205182) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-(oxan-3-yl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-(oxan-3-yl)pyrimidin-5-yl]methanol
PubChem CID114205182
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name[4-(difluoromethyl)-2-(oxan-3-yl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(C2CCCOC2)nc1C(F)F
InChIInChI=1S/C11H14F2N2O2/c12-10(13)9-8(5-16)4-14-11(15-9)7-2-1-3-17-6-7/h4,7,10,16H,1-3,5-6H2
InChIKeySQYHSTUHUHKMOI-UHFFFAOYSA-N
XLogP1.80
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.80
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-3-yl)pyrimidin-5-yl]methanol?
The IUPAC name of [4-(difluoromethyl)-2-(oxan-3-yl)pyrimidin-5-yl]methanol (CID 114205182) is [4-(difluoromethyl)-2-(oxan-3-yl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-2-(oxan-3-yl)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-(difluoromethyl)-2-(oxan-3-yl)pyrimidin-5-yl]methanol is OCc1cnc(C2CCCOC2)nc1C(F)F.
What is the InChIKey of [4-(difluoromethyl)-2-(oxan-3-yl)pyrimidin-5-yl]methanol?
The InChIKey is SQYHSTUHUHKMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c12-10(13)9-8(5-16)4-14-11(15-9)7-2-1-3-17-6-7/h4,7,10,16H,1-3,5-6H2.
What are the key properties of [4-(difluoromethyl)-2-(oxan-3-yl)pyrimidin-5-yl]methanol?
[4-(difluoromethyl)-2-(oxan-3-yl)pyrimidin-5-yl]methanol has a molecular weight of 244.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-(oxan-3-yl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 114205182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).