2-(5-chloro-1-methylimidazol-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine

C10H7ClF4N4O — CID 156865186

IUPAC2-(5-chloro-1-methylimidazol-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2ncc(Cl)n2C)nc(F)c1C(F)(F)F
InChIInChI=1S/C10H7ClF4N4O/c1-19-4(11)3-16-8(19)7-17-6(12)5(10(13,14)15)9(18-7)20-2/h3H,1-2H3
InChIKeyFYLULBSGJYMAMY-UHFFFAOYSA-N
MW310.64 g/mol
LogP2.70
Rot. Bonds2

About 2-(5-chloro-1-methylimidazol-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine

2-(5-chloro-1-methylimidazol-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine (PubChem CID 156865186) has the molecular formula C10H7ClF4N4O and a molecular weight of 310.64 g/mol. Its IUPAC name is 2-(5-chloro-1-methylimidazol-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(5-chloro-1-methylimidazol-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine
PubChem CID156865186
Molecular FormulaC10H7ClF4N4O
Molecular Weight310.64 g/mol
Exact Mass310.02
IUPAC Name2-(5-chloro-1-methylimidazol-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2ncc(Cl)n2C)nc(F)c1C(F)(F)F
InChIInChI=1S/C10H7ClF4N4O/c1-19-4(11)3-16-8(19)7-17-6(12)5(10(13,14)15)9(18-7)20-2/h3H,1-2H3
InChIKeyFYLULBSGJYMAMY-UHFFFAOYSA-N
XLogP2.70
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.64
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methylimidazol-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(5-chloro-1-methylimidazol-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine (CID 156865186) is 2-(5-chloro-1-methylimidazol-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(5-chloro-1-methylimidazol-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(5-chloro-1-methylimidazol-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine is COc1nc(-c2ncc(Cl)n2C)nc(F)c1C(F)(F)F.
What is the InChIKey of 2-(5-chloro-1-methylimidazol-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine?
The InChIKey is FYLULBSGJYMAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF4N4O/c1-19-4(11)3-16-8(19)7-17-6(12)5(10(13,14)15)9(18-7)20-2/h3H,1-2H3.
What are the key properties of 2-(5-chloro-1-methylimidazol-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine?
2-(5-chloro-1-methylimidazol-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine has a molecular weight of 310.64 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methylimidazol-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 156865186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).