6-oxo-2-pyrimidin-2-yl-N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide

C19H16F3N5O3 — CID 137126229

IUPAC6-oxo-2-pyrimidin-2-yl-N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide
SMILESCC(C)(NC(=O)c1cc(=O)[nH]c(-c2ncccn2)n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H16F3N5O3/c1-18(2,11-4-6-12(7-5-11)30-19(20,21)22)27-17(29)13-10-14(28)26-16(25-13)15-23-8-3-9-24-15/h3-10H,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyKXVXXZUGHKFLSG-UHFFFAOYSA-N
MW419.36 g/mol
LogP2.79
Rot. Bonds5

About 6-oxo-2-pyrimidin-2-yl-N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide

6-oxo-2-pyrimidin-2-yl-N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide (PubChem CID 137126229) has the molecular formula C19H16F3N5O3 and a molecular weight of 419.36 g/mol. Its IUPAC name is 6-oxo-2-pyrimidin-2-yl-N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-oxo-2-pyrimidin-2-yl-N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide
PubChem CID137126229
Molecular FormulaC19H16F3N5O3
Molecular Weight419.36 g/mol
Exact Mass419.12
IUPAC Name6-oxo-2-pyrimidin-2-yl-N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide
SMILESCC(C)(NC(=O)c1cc(=O)[nH]c(-c2ncccn2)n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H16F3N5O3/c1-18(2,11-4-6-12(7-5-11)30-19(20,21)22)27-17(29)13-10-14(28)26-16(25-13)15-23-8-3-9-24-15/h3-10H,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyKXVXXZUGHKFLSG-UHFFFAOYSA-N
XLogP2.79
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-oxo-2-pyrimidin-2-yl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 137126165
4-[(3R)-4-methyl-3-[4-(trifluoromethoxy)phenyl]pentanoyl]-2-pyrimidin-2-yl-1H-pyrimidin-6-one
CID 157443156
N-[2-(4-fluorophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982858
[4-[(1R)-1-[(6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carbonyl)amino]ethyl]phenyl] hypofluorite
CID 136983135
N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
CID 136982620
N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]pyridazine-4-carboxamide
CID 99834163
N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]-6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
CID 136982898
N-[cyclopropyl-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
CID 137126116
4-[(3R)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentanoyl]-2-pyrimidin-2-yl-1H-pyrimidin-6-one
CID 149210702
6-oxo-2-phenyl-N-[1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide
CID 146540778
4-[3-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylbutanoyl]-2-pyrimidin-2-yl-1H-pyrimidin-6-one
CID 147363322
N-[2-(3-bromophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982614

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-pyrimidin-2-yl-N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-oxo-2-pyrimidin-2-yl-N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide (CID 137126229) is 6-oxo-2-pyrimidin-2-yl-N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-oxo-2-pyrimidin-2-yl-N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-oxo-2-pyrimidin-2-yl-N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide is CC(C)(NC(=O)c1cc(=O)[nH]c(-c2ncccn2)n1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-oxo-2-pyrimidin-2-yl-N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide?
The InChIKey is KXVXXZUGHKFLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O3/c1-18(2,11-4-6-12(7-5-11)30-19(20,21)22)27-17(29)13-10-14(28)26-16(25-13)15-23-8-3-9-24-15/h3-10H,1-2H3,(H,27,29)(H,25,26,28).
What are the key properties of 6-oxo-2-pyrimidin-2-yl-N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide?
6-oxo-2-pyrimidin-2-yl-N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide has a molecular weight of 419.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-pyrimidin-2-yl-N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137126229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).