4,6-dimethoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine

C11H11F3N4O2 — CID 178173670

IUPAC4,6-dimethoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-n2ccnc2C)nc(OC)c1C(F)(F)F
InChIInChI=1S/C11H11F3N4O2/c1-6-15-4-5-18(6)10-16-8(19-2)7(11(12,13)14)9(17-10)20-3/h4-5H,1-3H3
InChIKeyPAPGQHOZQDMGPX-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.01
Rot. Bonds3

About 4,6-dimethoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine

4,6-dimethoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine (PubChem CID 178173670) has the molecular formula C11H11F3N4O2 and a molecular weight of 288.23 g/mol. Its IUPAC name is 4,6-dimethoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine
PubChem CID178173670
Molecular FormulaC11H11F3N4O2
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC Name4,6-dimethoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-n2ccnc2C)nc(OC)c1C(F)(F)F
InChIInChI=1S/C11H11F3N4O2/c1-6-15-4-5-18(6)10-16-8(19-2)7(11(12,13)14)9(17-10)20-3/h4-5H,1-3H3
InChIKeyPAPGQHOZQDMGPX-UHFFFAOYSA-N
XLogP2.01
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine (CID 178173670) is 4,6-dimethoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine is COc1nc(-n2ccnc2C)nc(OC)c1C(F)(F)F.
What is the InChIKey of 4,6-dimethoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is PAPGQHOZQDMGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2/c1-6-15-4-5-18(6)10-16-8(19-2)7(11(12,13)14)9(17-10)20-3/h4-5H,1-3H3.
What are the key properties of 4,6-dimethoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine?
4,6-dimethoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 288.23 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 178173670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).