2-cyclopropyl-N-[2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide

C18H17F4N3O2 — CID 136982838

IUPAC2-cyclopropyl-N-[2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)(NC(=O)c1cc(=O)[nH]c(C2CC2)n1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C18H17F4N3O2/c1-17(2,10-5-6-11(12(19)7-10)18(20,21)22)25-16(27)13-8-14(26)24-15(23-13)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyAKNKCWUNYPPGKH-UHFFFAOYSA-N
MW383.35 g/mol
LogP3.47
Rot. Bonds4

About 2-cyclopropyl-N-[2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide

2-cyclopropyl-N-[2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136982838) has the molecular formula C18H17F4N3O2 and a molecular weight of 383.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID136982838
Molecular FormulaC18H17F4N3O2
Molecular Weight383.35 g/mol
Exact Mass383.13
IUPAC Name2-cyclopropyl-N-[2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)(NC(=O)c1cc(=O)[nH]c(C2CC2)n1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C18H17F4N3O2/c1-17(2,10-5-6-11(12(19)7-10)18(20,21)22)25-16(27)13-8-14(26)24-15(23-13)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyAKNKCWUNYPPGKH-UHFFFAOYSA-N
XLogP3.47
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 136982838) is 2-cyclopropyl-N-[2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide is CC(C)(NC(=O)c1cc(=O)[nH]c(C2CC2)n1)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 2-cyclopropyl-N-[2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is AKNKCWUNYPPGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N3O2/c1-17(2,10-5-6-11(12(19)7-10)18(20,21)22)25-16(27)13-8-14(26)24-15(23-13)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-cyclopropyl-N-[2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-N-[2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 383.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136982838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).