2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4-carboxamide

C9H8F3N3O — CID 90805710

IUPAC2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(C(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C9H8F3N3O/c10-9(11,12)6-3-5(7(13)16)14-8(15-6)4-1-2-4/h3-4H,1-2H2,(H2,13,16)
InChIKeyLXCMVSBRFWMWEM-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.47
Rot. Bonds2

About 2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4-carboxamide

2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 90805710) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID90805710
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(C(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C9H8F3N3O/c10-9(11,12)6-3-5(7(13)16)14-8(15-6)4-1-2-4/h3-4H,1-2H2,(H2,13,16)
InChIKeyLXCMVSBRFWMWEM-UHFFFAOYSA-N
XLogP1.47
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4-carboxamide (CID 90805710) is 2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4-carboxamide is NC(=O)c1cc(C(F)(F)F)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is LXCMVSBRFWMWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c10-9(11,12)6-3-5(7(13)16)14-8(15-6)4-1-2-4/h3-4H,1-2H2,(H2,13,16).
What are the key properties of 2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 231.18 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 90805710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).