4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine

C13H10ClF3N2O — CID 15477097

IUPAC4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCOCc1cc(Cl)nc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H10ClF3N2O/c1-20-7-10-6-11(14)19-12(18-10)8-2-4-9(5-3-8)13(15,16)17/h2-6H,7H2,1H3
InChIKeyQCNYTJWORLBZOJ-UHFFFAOYSA-N
MW302.68 g/mol
LogP3.96
Rot. Bonds3

About 4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine

4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 15477097) has the molecular formula C13H10ClF3N2O and a molecular weight of 302.68 g/mol. Its IUPAC name is 4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID15477097
Molecular FormulaC13H10ClF3N2O
Molecular Weight302.68 g/mol
Exact Mass302.04
IUPAC Name4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCOCc1cc(Cl)nc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H10ClF3N2O/c1-20-7-10-6-11(14)19-12(18-10)8-2-4-9(5-3-8)13(15,16)17/h2-6H,7H2,1H3
InChIKeyQCNYTJWORLBZOJ-UHFFFAOYSA-N
XLogP3.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine (CID 15477097) is 4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine is COCc1cc(Cl)nc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is QCNYTJWORLBZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O/c1-20-7-10-6-11(14)19-12(18-10)8-2-4-9(5-3-8)13(15,16)17/h2-6H,7H2,1H3.
What are the key properties of 4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine?
4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 302.68 g/mol, XLogP of 3.96, 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-[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 15477097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).