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

C16H13F4N3O2 — CID 136982598

IUPACN-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NC2(c3ccc(C(F)(F)F)c(F)c3)CC2)cc(=O)[nH]1
InChIInChI=1S/C16H13F4N3O2/c1-8-21-12(7-13(24)22-8)14(25)23-15(4-5-15)9-2-3-10(11(17)6-9)16(18,19)20/h2-3,6-7H,4-5H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyLXVPMJUSAXFKHN-UHFFFAOYSA-N
MW355.29 g/mol
LogP2.66
Rot. Bonds3

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

N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136982598) has the molecular formula C16H13F4N3O2 and a molecular weight of 355.29 g/mol. Its IUPAC name is N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID136982598
Molecular FormulaC16H13F4N3O2
Molecular Weight355.29 g/mol
Exact Mass355.09
IUPAC NameN-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NC2(c3ccc(C(F)(F)F)c(F)c3)CC2)cc(=O)[nH]1
InChIInChI=1S/C16H13F4N3O2/c1-8-21-12(7-13(24)22-8)14(25)23-15(4-5-15)9-2-3-10(11(17)6-9)16(18,19)20/h2-3,6-7H,4-5H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyLXVPMJUSAXFKHN-UHFFFAOYSA-N
XLogP2.66
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982698
2-methyl-6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide
CID 137126245
2-cyclopropyl-6-oxo-N-[1-[4-(trifluoromethylsulfanyl)phenyl]cyclopropyl]-1H-pyrimidine-4-carboxamide
CID 136982835
2-(dimethylamino)-N-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137162810
N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982541
2-cyclopropyl-N-[2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982838
N-[cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-ethyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 137126182
N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-(hydroxymethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982662
N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982645
2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136982923
N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268007
2-cyclopropyl-N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982737

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide (CID 136982598) is N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide is Cc1nc(C(=O)NC2(c3ccc(C(F)(F)F)c(F)c3)CC2)cc(=O)[nH]1.
What is the InChIKey of N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is LXVPMJUSAXFKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N3O2/c1-8-21-12(7-13(24)22-8)14(25)23-15(4-5-15)9-2-3-10(11(17)6-9)16(18,19)20/h2-3,6-7H,4-5H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 355.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136982598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).