2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide

C18H18F3N3O3 — CID 137126133

IUPAC2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide
SMILESCC[C@@H](NC(=O)c1cc(=O)[nH]c(C2CC2)n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H18F3N3O3/c1-2-13(10-5-7-12(8-6-10)27-18(19,20)21)23-17(26)14-9-15(25)24-16(22-14)11-3-4-11/h5-9,11,13H,2-4H2,1H3,(H,23,26)(H,22,24,25)/t13-/m1/s1
InChIKeyQROKVPJKWNQRKZ-CYBMUJFWSA-N
MW381.35 g/mol
LogP3.43
Rot. Bonds6

About 2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide

2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide (PubChem CID 137126133) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide
PubChem CID137126133
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide
SMILESCC[C@@H](NC(=O)c1cc(=O)[nH]c(C2CC2)n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H18F3N3O3/c1-2-13(10-5-7-12(8-6-10)27-18(19,20)21)23-17(26)14-9-15(25)24-16(22-14)11-3-4-11/h5-9,11,13H,2-4H2,1H3,(H,23,26)(H,22,24,25)/t13-/m1/s1
InChIKeyQROKVPJKWNQRKZ-CYBMUJFWSA-N
XLogP3.43
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-2-phenyl-N-[1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide
CID 146540778
2-methoxy-N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137045845
2-[cyclopropyl(methyl)amino]-N-[(1S)-2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137045789
2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 162615981
2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(1S)-2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137045761
2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide
CID 136982709
2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide;1,1-dimethylcyclopropane
CID 144874221
2-benzyl-N-[2-hydroxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137160703
N-[2-hydroxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-[2-(methoxymethyl)pyrrolidin-1-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137160704
2-cyclopropyl-6-oxo-N-[phenyl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-4-carboxamide
CID 136982840
2-cyclopropyl-N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982737
2-[(4-methoxyphenyl)methyl]-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]propyl]-1H-pyrimidine-4-carboxamide
CID 136983071

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide (CID 137126133) is 2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide is CC[C@@H](NC(=O)c1cc(=O)[nH]c(C2CC2)n1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is QROKVPJKWNQRKZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-2-13(10-5-7-12(8-6-10)27-18(19,20)21)23-17(26)14-9-15(25)24-16(22-14)11-3-4-11/h5-9,11,13H,2-4H2,1H3,(H,23,26)(H,22,24,25)/t13-/m1/s1.
What are the key properties of 2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 381.35 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137126133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).