2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1H-pyrimidine-4-carboxamide

C15H14F3N5O2 — CID 136982837

IUPAC2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1H-pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(=O)[nH]c(C2CC2)n1)c1ncc(C(F)(F)F)cn1
InChIInChI=1S/C15H14F3N5O2/c1-7(12-19-5-9(6-20-12)15(16,17)18)21-14(25)10-4-11(24)23-13(22-10)8-2-3-8/h4-8H,2-3H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyRBDUMHGEAVDXTE-UHFFFAOYSA-N
MW353.30 g/mol
LogP1.95
Rot. Bonds4

About 2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1H-pyrimidine-4-carboxamide

2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1H-pyrimidine-4-carboxamide (PubChem CID 136982837) has the molecular formula C15H14F3N5O2 and a molecular weight of 353.30 g/mol. Its IUPAC name is 2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1H-pyrimidine-4-carboxamide
PubChem CID136982837
Molecular FormulaC15H14F3N5O2
Molecular Weight353.30 g/mol
Exact Mass353.11
IUPAC Name2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1H-pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(=O)[nH]c(C2CC2)n1)c1ncc(C(F)(F)F)cn1
InChIInChI=1S/C15H14F3N5O2/c1-7(12-19-5-9(6-20-12)15(16,17)18)21-14(25)10-4-11(24)23-13(22-10)8-2-3-8/h4-8H,2-3H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyRBDUMHGEAVDXTE-UHFFFAOYSA-N
XLogP1.95
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1H-pyrimidine-4-carboxamide (CID 136982837) is 2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1H-pyrimidine-4-carboxamide is CC(NC(=O)c1cc(=O)[nH]c(C2CC2)n1)c1ncc(C(F)(F)F)cn1.
What is the InChIKey of 2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is RBDUMHGEAVDXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2/c1-7(12-19-5-9(6-20-12)15(16,17)18)21-14(25)10-4-11(24)23-13(22-10)8-2-3-8/h4-8H,2-3H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 353.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136982837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).