[4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol

C8H10F2N2O — CID 130482994

IUPAC[4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol
SMILESCCc1ncc(CO)c(C(F)F)n1
InChIInChI=1S/C8H10F2N2O/c1-2-6-11-3-5(4-13)7(12-6)8(9)10/h3,8,13H,2,4H2,1H3
InChIKeyJLZJWNQJOQITQI-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.47
Rot. Bonds3

About [4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol

[4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol (PubChem CID 130482994) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol
PubChem CID130482994
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name[4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol
SMILESCCc1ncc(CO)c(C(F)F)n1
InChIInChI=1S/C8H10F2N2O/c1-2-6-11-3-5(4-13)7(12-6)8(9)10/h3,8,13H,2,4H2,1H3
InChIKeyJLZJWNQJOQITQI-UHFFFAOYSA-N
XLogP1.47
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol?
The IUPAC name of [4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol (CID 130482994) is [4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol?
The canonical SMILES for [4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol is CCc1ncc(CO)c(C(F)F)n1.
What is the InChIKey of [4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol?
The InChIKey is JLZJWNQJOQITQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-2-6-11-3-5(4-13)7(12-6)8(9)10/h3,8,13H,2,4H2,1H3.
What are the key properties of [4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol?
[4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol has a molecular weight of 188.18 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol is sourced from PubChem (CID 130482994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).