4-chloro-6-(phenylmethoxymethyl)-2-(trifluoromethyl)pyrimidine

C13H10ClF3N2O — CID 122477277

IUPAC4-chloro-6-(phenylmethoxymethyl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)cc(COCc2ccccc2)n1
InChIInChI=1S/C13H10ClF3N2O/c14-11-6-10(18-12(19-11)13(15,16)17)8-20-7-9-4-2-1-3-5-9/h1-6H,7-8H2
InChIKeyLZFMWQNSUNPKFD-UHFFFAOYSA-N
MW302.68 g/mol
LogP3.87
Rot. Bonds4

About 4-chloro-6-(phenylmethoxymethyl)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(phenylmethoxymethyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 122477277) has the molecular formula C13H10ClF3N2O and a molecular weight of 302.68 g/mol. Its IUPAC name is 4-chloro-6-(phenylmethoxymethyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(phenylmethoxymethyl)-2-(trifluoromethyl)pyrimidine
PubChem CID122477277
Molecular FormulaC13H10ClF3N2O
Molecular Weight302.68 g/mol
Exact Mass302.04
IUPAC Name4-chloro-6-(phenylmethoxymethyl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)cc(COCc2ccccc2)n1
InChIInChI=1S/C13H10ClF3N2O/c14-11-6-10(18-12(19-11)13(15,16)17)8-20-7-9-4-2-1-3-5-9/h1-6H,7-8H2
InChIKeyLZFMWQNSUNPKFD-UHFFFAOYSA-N
XLogP3.87
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(phenylmethoxymethyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(phenylmethoxymethyl)-2-(trifluoromethyl)pyrimidine (CID 122477277) is 4-chloro-6-(phenylmethoxymethyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(phenylmethoxymethyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(phenylmethoxymethyl)-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1nc(Cl)cc(COCc2ccccc2)n1.
What is the InChIKey of 4-chloro-6-(phenylmethoxymethyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is LZFMWQNSUNPKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O/c14-11-6-10(18-12(19-11)13(15,16)17)8-20-7-9-4-2-1-3-5-9/h1-6H,7-8H2.
What are the key properties of 4-chloro-6-(phenylmethoxymethyl)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(phenylmethoxymethyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 302.68 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(phenylmethoxymethyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 122477277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).