2-cyclopropyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide

C10H8F5N3O — CID 91540193

IUPAC2-cyclopropyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(C(F)(F)C(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C10H8F5N3O/c11-9(12,10(13,14)15)6-3-5(7(16)19)17-8(18-6)4-1-2-4/h3-4H,1-2H2,(H2,16,19)
InChIKeyFVTYNCNNRBBKRS-UHFFFAOYSA-N
MW281.18 g/mol
LogP2.11
Rot. Bonds3

About 2-cyclopropyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide

2-cyclopropyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide (PubChem CID 91540193) has the molecular formula C10H8F5N3O and a molecular weight of 281.18 g/mol. Its IUPAC name is 2-cyclopropyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide
PubChem CID91540193
Molecular FormulaC10H8F5N3O
Molecular Weight281.18 g/mol
Exact Mass281.06
IUPAC Name2-cyclopropyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(C(F)(F)C(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C10H8F5N3O/c11-9(12,10(13,14)15)6-3-5(7(16)19)17-8(18-6)4-1-2-4/h3-4H,1-2H2,(H2,16,19)
InChIKeyFVTYNCNNRBBKRS-UHFFFAOYSA-N
XLogP2.11
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide (CID 91540193) is 2-cyclopropyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide is NC(=O)c1cc(C(F)(F)C(F)(F)F)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is FVTYNCNNRBBKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5N3O/c11-9(12,10(13,14)15)6-3-5(7(16)19)17-8(18-6)4-1-2-4/h3-4H,1-2H2,(H2,16,19).
What are the key properties of 2-cyclopropyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide?
2-cyclopropyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 281.18 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 91540193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).