2-(dimethylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide

C18H21F3N4O2 — CID 137162845

IUPAC2-(dimethylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1cc(C(F)(F)F)ccc1C(C)(C)NC(=O)c1cc(=O)[nH]c(N(C)C)n1
InChIInChI=1S/C18H21F3N4O2/c1-10-8-11(18(19,20)21)6-7-12(10)17(2,3)24-15(27)13-9-14(26)23-16(22-13)25(4)5/h6-9H,1-5H3,(H,24,27)(H,22,23,26)
InChIKeyQEOHYLPZKSGXKS-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.83
Rot. Bonds4

About 2-(dimethylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide

2-(dimethylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137162845) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID137162845
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC Name2-(dimethylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1cc(C(F)(F)F)ccc1C(C)(C)NC(=O)c1cc(=O)[nH]c(N(C)C)n1
InChIInChI=1S/C18H21F3N4O2/c1-10-8-11(18(19,20)21)6-7-12(10)17(2,3)24-15(27)13-9-14(26)23-16(22-13)25(4)5/h6-9H,1-5H3,(H,24,27)(H,22,23,26)
InChIKeyQEOHYLPZKSGXKS-UHFFFAOYSA-N
XLogP2.83
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137162894
N-[1-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137302110
2-(dimethylamino)-4-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]butanoyl]-1H-pyrimidin-6-one
CID 159514074
2-cyclopropyl-N-[2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982838
2-(dimethylamino)-N-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137162810
2-(dimethylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)cyclohexyl]butan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 147809065
N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982645
2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136982923
4-[3-[4-(difluoromethyl)-3-fluorophenyl]-3-methylbutanoyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 149471918
N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982541
N-[2-(4-fluorophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982858
N-[1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137302194

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 137162845) is 2-(dimethylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide is Cc1cc(C(F)(F)F)ccc1C(C)(C)NC(=O)c1cc(=O)[nH]c(N(C)C)n1.
What is the InChIKey of 2-(dimethylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is QEOHYLPZKSGXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c1-10-8-11(18(19,20)21)6-7-12(10)17(2,3)24-15(27)13-9-14(26)23-16(22-13)25(4)5/h6-9H,1-5H3,(H,24,27)(H,22,23,26).
What are the key properties of 2-(dimethylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
2-(dimethylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137162845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).