2-(dimethylamino)-4-[1-[[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethenyl]-1H-pyrimidin-6-one

C17H19F3N4O2 — CID 145190612

IUPAC2-(dimethylamino)-4-[1-[[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethenyl]-1H-pyrimidin-6-one
SMILESC=C(N[C@H](C)c1ccc(OC(F)(F)F)cc1)c1cc(=O)[nH]c(N(C)C)n1
InChIInChI=1S/C17H19F3N4O2/c1-10(12-5-7-13(8-6-12)26-17(18,19)20)21-11(2)14-9-15(25)23-16(22-14)24(3)4/h5-10,21H,2H2,1,3-4H3,(H,22,23,25)/t10-/m1/s1
InChIKeyHSKQJRGZQSQKHQ-SNVBAGLBSA-N
MW368.36 g/mol
LogP3.06
Rot. Bonds6

About 2-(dimethylamino)-4-[1-[[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethenyl]-1H-pyrimidin-6-one

2-(dimethylamino)-4-[1-[[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethenyl]-1H-pyrimidin-6-one (PubChem CID 145190612) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[1-[[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-[1-[[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethenyl]-1H-pyrimidin-6-one
PubChem CID145190612
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name2-(dimethylamino)-4-[1-[[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethenyl]-1H-pyrimidin-6-one
SMILESC=C(N[C@H](C)c1ccc(OC(F)(F)F)cc1)c1cc(=O)[nH]c(N(C)C)n1
InChIInChI=1S/C17H19F3N4O2/c1-10(12-5-7-13(8-6-12)26-17(18,19)20)21-11(2)14-9-15(25)23-16(22-14)24(3)4/h5-10,21H,2H2,1,3-4H3,(H,22,23,25)/t10-/m1/s1
InChIKeyHSKQJRGZQSQKHQ-SNVBAGLBSA-N
XLogP3.06
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]ethyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137146211
6-oxo-2-pyrimidin-2-yl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 137126165
2-(dimethylamino)-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137162874
2-[cyclopropyl(methyl)amino]-N-[(1S)-2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137045789
2-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137302195
N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide
CID 166408095
N-[1-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137302110
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-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide
CID 174334932
2-(dimethylamino)-N-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137162810
2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide
CID 137126133

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[1-[[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-[1-[[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethenyl]-1H-pyrimidin-6-one (CID 145190612) is 2-(dimethylamino)-4-[1-[[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-[1-[[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-[1-[[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethenyl]-1H-pyrimidin-6-one is C=C(N[C@H](C)c1ccc(OC(F)(F)F)cc1)c1cc(=O)[nH]c(N(C)C)n1.
What is the InChIKey of 2-(dimethylamino)-4-[1-[[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethenyl]-1H-pyrimidin-6-one?
The InChIKey is HSKQJRGZQSQKHQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-10(12-5-7-13(8-6-12)26-17(18,19)20)21-11(2)14-9-15(25)23-16(22-14)24(3)4/h5-10,21H,2H2,1,3-4H3,(H,22,23,25)/t10-/m1/s1.
What are the key properties of 2-(dimethylamino)-4-[1-[[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethenyl]-1H-pyrimidin-6-one?
2-(dimethylamino)-4-[1-[[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethenyl]-1H-pyrimidin-6-one has a molecular weight of 368.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-[1-[[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 145190612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).