[4-(difluoromethyl)pyrimidin-5-yl]methanol

C6H6F2N2O — CID 130482996

IUPAC[4-(difluoromethyl)pyrimidin-5-yl]methanol
SMILESOCc1cncnc1C(F)F
InChIInChI=1S/C6H6F2N2O/c7-6(8)5-4(2-11)1-9-3-10-5/h1,3,6,11H,2H2
InChIKeySJKSGJWKGXHILH-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.91
Rot. Bonds2

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

[4-(difluoromethyl)pyrimidin-5-yl]methanol (PubChem CID 130482996) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is [4-(difluoromethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)pyrimidin-5-yl]methanol
PubChem CID130482996
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name[4-(difluoromethyl)pyrimidin-5-yl]methanol
SMILESOCc1cncnc1C(F)F
InChIInChI=1S/C6H6F2N2O/c7-6(8)5-4(2-11)1-9-3-10-5/h1,3,6,11H,2H2
InChIKeySJKSGJWKGXHILH-UHFFFAOYSA-N
XLogP0.91
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)pyrimidin-5-yl]methanol?
The IUPAC name of [4-(difluoromethyl)pyrimidin-5-yl]methanol (CID 130482996) is [4-(difluoromethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(difluoromethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-(difluoromethyl)pyrimidin-5-yl]methanol is OCc1cncnc1C(F)F.
What is the InChIKey of [4-(difluoromethyl)pyrimidin-5-yl]methanol?
The InChIKey is SJKSGJWKGXHILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c7-6(8)5-4(2-11)1-9-3-10-5/h1,3,6,11H,2H2.
What are the key properties of [4-(difluoromethyl)pyrimidin-5-yl]methanol?
[4-(difluoromethyl)pyrimidin-5-yl]methanol has a molecular weight of 160.12 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 130482996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).