4-chloro-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine

C12H8ClF3N2O — CID 55062695

IUPAC4-chloro-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine
SMILESCOCc1cc(Cl)nc(-c2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C12H8ClF3N2O/c1-19-5-7-4-10(13)18-12(17-7)6-2-8(14)11(16)9(15)3-6/h2-4H,5H2,1H3
InChIKeyZJMATNYJIDCJJI-UHFFFAOYSA-N
MW288.66 g/mol
LogP3.36
Rot. Bonds3

About 4-chloro-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine

4-chloro-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine (PubChem CID 55062695) has the molecular formula C12H8ClF3N2O and a molecular weight of 288.66 g/mol. Its IUPAC name is 4-chloro-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine
PubChem CID55062695
Molecular FormulaC12H8ClF3N2O
Molecular Weight288.66 g/mol
Exact Mass288.03
IUPAC Name4-chloro-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine
SMILESCOCc1cc(Cl)nc(-c2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C12H8ClF3N2O/c1-19-5-7-4-10(13)18-12(17-7)6-2-8(14)11(16)9(15)3-6/h2-4H,5H2,1H3
InChIKeyZJMATNYJIDCJJI-UHFFFAOYSA-N
XLogP3.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine?
The IUPAC name of 4-chloro-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine (CID 55062695) is 4-chloro-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine is COCc1cc(Cl)nc(-c2cc(F)c(F)c(F)c2)n1.
What is the InChIKey of 4-chloro-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine?
The InChIKey is ZJMATNYJIDCJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O/c1-19-5-7-4-10(13)18-12(17-7)6-2-8(14)11(16)9(15)3-6/h2-4H,5H2,1H3.
What are the key properties of 4-chloro-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine?
4-chloro-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine has a molecular weight of 288.66 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine is sourced from PubChem (CID 55062695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).