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

C16H15F3N6O3 — CID 70235155

IUPACN-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCN1C(=O)CC(C)(c2cc(NC(=O)c3coc(C(F)(F)F)n3)ccn2)N=C1N
InChIInChI=1S/C16H15F3N6O3/c1-15(6-11(26)25(2)14(20)24-15)10-5-8(3-4-21-10)22-12(27)9-7-28-13(23-9)16(17,18)19/h3-5,7H,6H2,1-2H3,(H2,20,24)(H,21,22,27)
InChIKeyLOACFOYRLVVKQD-UHFFFAOYSA-N
MW396.33 g/mol
LogP1.73
Rot. Bonds3

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

N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 70235155) has the molecular formula C16H15F3N6O3 and a molecular weight of 396.33 g/mol. Its IUPAC name is N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID70235155
Molecular FormulaC16H15F3N6O3
Molecular Weight396.33 g/mol
Exact Mass396.12
IUPAC NameN-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCN1C(=O)CC(C)(c2cc(NC(=O)c3coc(C(F)(F)F)n3)ccn2)N=C1N
InChIInChI=1S/C16H15F3N6O3/c1-15(6-11(26)25(2)14(20)24-15)10-5-8(3-4-21-10)22-12(27)9-7-28-13(23-9)16(17,18)19/h3-5,7H,6H2,1-2H3,(H2,20,24)(H,21,22,27)
InChIKeyLOACFOYRLVVKQD-UHFFFAOYSA-N
XLogP1.73
TPSA126.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 70235155) is N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide is CN1C(=O)CC(C)(c2cc(NC(=O)c3coc(C(F)(F)F)n3)ccn2)N=C1N.
What is the InChIKey of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LOACFOYRLVVKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O3/c1-15(6-11(26)25(2)14(20)24-15)10-5-8(3-4-21-10)22-12(27)9-7-28-13(23-9)16(17,18)19/h3-5,7H,6H2,1-2H3,(H2,20,24)(H,21,22,27).
What are the key properties of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 396.33 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70235155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).