N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C17H15F4N5O3 — CID 70235363

IUPACN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCN1C(=O)CC(C)(c2cc(NC(=O)c3coc(C(F)(F)F)n3)ccc2F)N=C1N
InChIInChI=1S/C17H15F4N5O3/c1-16(6-12(27)26(2)15(22)25-16)9-5-8(3-4-10(9)18)23-13(28)11-7-29-14(24-11)17(19,20)21/h3-5,7H,6H2,1-2H3,(H2,22,25)(H,23,28)
InChIKeyPHKBCROHOCREML-UHFFFAOYSA-N
MW413.33 g/mol
LogP2.48
Rot. Bonds3

About N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 70235363) has the molecular formula C17H15F4N5O3 and a molecular weight of 413.33 g/mol. Its IUPAC name is N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID70235363
Molecular FormulaC17H15F4N5O3
Molecular Weight413.33 g/mol
Exact Mass413.11
IUPAC NameN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCN1C(=O)CC(C)(c2cc(NC(=O)c3coc(C(F)(F)F)n3)ccc2F)N=C1N
InChIInChI=1S/C17H15F4N5O3/c1-16(6-12(27)26(2)15(22)25-16)9-5-8(3-4-10(9)18)23-13(28)11-7-29-14(24-11)17(19,20)21/h3-5,7H,6H2,1-2H3,(H2,22,25)(H,23,28)
InChIKeyPHKBCROHOCREML-UHFFFAOYSA-N
XLogP2.48
TPSA113.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-[5-[2-(2-chloro-1,3-oxazol-4-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448709
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-chloro-1,3-oxazole-4-carboxamide
CID 70232154
(6S)-2-amino-6-(2,5-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388920
N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-6-chloro-3-(trifluoromethyl)pyridine-2-carboxamide
CID 59570577
(6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 67966792
N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 59570580
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 70234798
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-methylpyrazine-2-carboxamide
CID 75288554
N-[3-(2-amino-1-iodo-4-methyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-3-fluoropyridine-2-carboxamide
CID 163943894
N-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide
CID 66644173
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 70233635
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 118307941

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 70235363) is N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide is CN1C(=O)CC(C)(c2cc(NC(=O)c3coc(C(F)(F)F)n3)ccc2F)N=C1N.
What is the InChIKey of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is PHKBCROHOCREML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N5O3/c1-16(6-12(27)26(2)15(22)25-16)9-5-8(3-4-10(9)18)23-13(28)11-7-29-14(24-11)17(19,20)21/h3-5,7H,6H2,1-2H3,(H2,22,25)(H,23,28).
What are the key properties of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 413.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70235363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).