[4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidin-5-yl]-ethoxymethanol

C14H13ClF2N2O2 — CID 129065211

IUPAC[4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidin-5-yl]-ethoxymethanol
SMILESCCOC(O)c1c(C)nc(-c2c(F)cccc2F)nc1Cl
InChIInChI=1S/C14H13ClF2N2O2/c1-3-21-14(20)10-7(2)18-13(19-12(10)15)11-8(16)5-4-6-9(11)17/h4-6,14,20H,3H2,1-2H3
InChIKeyABFHJSHPFZEYLC-UHFFFAOYSA-N
MW314.72 g/mol
LogP3.41
Rot. Bonds4

About [4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidin-5-yl]-ethoxymethanol

[4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidin-5-yl]-ethoxymethanol (PubChem CID 129065211) has the molecular formula C14H13ClF2N2O2 and a molecular weight of 314.72 g/mol. Its IUPAC name is [4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidin-5-yl]-ethoxymethanol.

Molecular Properties

Compound Name[4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidin-5-yl]-ethoxymethanol
PubChem CID129065211
Molecular FormulaC14H13ClF2N2O2
Molecular Weight314.72 g/mol
Exact Mass314.06
IUPAC Name[4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidin-5-yl]-ethoxymethanol
SMILESCCOC(O)c1c(C)nc(-c2c(F)cccc2F)nc1Cl
InChIInChI=1S/C14H13ClF2N2O2/c1-3-21-14(20)10-7(2)18-13(19-12(10)15)11-8(16)5-4-6-9(11)17/h4-6,14,20H,3H2,1-2H3
InChIKeyABFHJSHPFZEYLC-UHFFFAOYSA-N
XLogP3.41
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.72
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidin-5-yl]-ethoxymethanol?
The IUPAC name of [4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidin-5-yl]-ethoxymethanol (CID 129065211) is [4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidin-5-yl]-ethoxymethanol.
What is the SMILES notation for [4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidin-5-yl]-ethoxymethanol?
The canonical SMILES for [4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidin-5-yl]-ethoxymethanol is CCOC(O)c1c(C)nc(-c2c(F)cccc2F)nc1Cl.
What is the InChIKey of [4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidin-5-yl]-ethoxymethanol?
The InChIKey is ABFHJSHPFZEYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2O2/c1-3-21-14(20)10-7(2)18-13(19-12(10)15)11-8(16)5-4-6-9(11)17/h4-6,14,20H,3H2,1-2H3.
What are the key properties of [4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidin-5-yl]-ethoxymethanol?
[4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidin-5-yl]-ethoxymethanol has a molecular weight of 314.72 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidin-5-yl]-ethoxymethanol is sourced from PubChem (CID 129065211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).