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

C22H16F3N5O2 — CID 144874363

IUPAC6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)naphthalen-1-yl]ethyl]-1H-pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(=O)[nH]c(-c2ncccn2)n1)c1ccc(C(F)(F)F)c2ccccc12
InChIInChI=1S/C22H16F3N5O2/c1-12(13-7-8-16(22(23,24)25)15-6-3-2-5-14(13)15)28-21(32)17-11-18(31)30-20(29-17)19-26-9-4-10-27-19/h2-12H,1H3,(H,28,32)(H,29,30,31)
InChIKeyLVKOCCBFMKLNQG-UHFFFAOYSA-N
MW439.40 g/mol
LogP3.89
Rot. Bonds4

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

6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)naphthalen-1-yl]ethyl]-1H-pyrimidine-4-carboxamide (PubChem CID 144874363) has the molecular formula C22H16F3N5O2 and a molecular weight of 439.40 g/mol. Its IUPAC name is 6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)naphthalen-1-yl]ethyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)naphthalen-1-yl]ethyl]-1H-pyrimidine-4-carboxamide
PubChem CID144874363
Molecular FormulaC22H16F3N5O2
Molecular Weight439.40 g/mol
Exact Mass439.13
IUPAC Name6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)naphthalen-1-yl]ethyl]-1H-pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(=O)[nH]c(-c2ncccn2)n1)c1ccc(C(F)(F)F)c2ccccc12
InChIInChI=1S/C22H16F3N5O2/c1-12(13-7-8-16(22(23,24)25)15-6-3-2-5-14(13)15)28-21(32)17-11-18(31)30-20(29-17)19-26-9-4-10-27-19/h2-12H,1H3,(H,28,32)(H,29,30,31)
InChIKeyLVKOCCBFMKLNQG-UHFFFAOYSA-N
XLogP3.89
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
6-oxo-2-pyrimidin-2-yl-N-[1-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136983137
N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
CID 136982704
[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
[5-[2,2-dimethyl-1-[(6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carbonyl)amino]propyl]-2-(trifluoromethyl)phenyl]-oxidoazanium
CID 163862017
N-[(1R)-1-naphthalen-1-ylethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982863
N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
CID 136982694
ethyl 4-[1-[(6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carbonyl)amino]ethyl]benzoate
CID 146540751
N-[1-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137302110
N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]-6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
CID 136982898
N-[(1R)-2-methyl-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]propyl]-6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
CID 136983000

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)naphthalen-1-yl]ethyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)naphthalen-1-yl]ethyl]-1H-pyrimidine-4-carboxamide (CID 144874363) is 6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)naphthalen-1-yl]ethyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)naphthalen-1-yl]ethyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)naphthalen-1-yl]ethyl]-1H-pyrimidine-4-carboxamide is CC(NC(=O)c1cc(=O)[nH]c(-c2ncccn2)n1)c1ccc(C(F)(F)F)c2ccccc12.
What is the InChIKey of 6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)naphthalen-1-yl]ethyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is LVKOCCBFMKLNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2/c1-12(13-7-8-16(22(23,24)25)15-6-3-2-5-14(13)15)28-21(32)17-11-18(31)30-20(29-17)19-26-9-4-10-27-19/h2-12H,1H3,(H,28,32)(H,29,30,31).
What are the key properties of 6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)naphthalen-1-yl]ethyl]-1H-pyrimidine-4-carboxamide?
6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)naphthalen-1-yl]ethyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 439.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)naphthalen-1-yl]ethyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 144874363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).