2-(dimethylamino)-6-oxo-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide

C14H19F3N4O2 — CID 136811129

IUPAC2-(dimethylamino)-6-oxo-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide
SMILESCN(C)c1nc(C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C14H19F3N4O2/c1-21(2)13-19-10(7-11(22)20-13)12(23)18-9-6-4-3-5-8(9)14(15,16)17/h7-9H,3-6H2,1-2H3,(H,18,23)(H,19,20,22)/t8-,9-/m1/s1
InChIKeyWEJRUEFBUKNFCC-RKDXNWHRSA-N
MW332.33 g/mol
LogP1.69
Rot. Bonds3

About 2-(dimethylamino)-6-oxo-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide

2-(dimethylamino)-6-oxo-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide (PubChem CID 136811129) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-(dimethylamino)-6-oxo-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-6-oxo-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide
PubChem CID136811129
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name2-(dimethylamino)-6-oxo-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide
SMILESCN(C)c1nc(C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C14H19F3N4O2/c1-21(2)13-19-10(7-11(22)20-13)12(23)18-9-6-4-3-5-8(9)14(15,16)17/h7-9H,3-6H2,1-2H3,(H,18,23)(H,19,20,22)/t8-,9-/m1/s1
InChIKeyWEJRUEFBUKNFCC-RKDXNWHRSA-N
XLogP1.69
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-6-oxo-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide
CID 136349366
2-[(2-methylcyclohexyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136350754
2-(4-Methyl-cyclohexylamino)-6-trifluoromethyl-pyrimidin-4-ol
CID 136741341
2-(dimethylamino)-6-oxo-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide
CID 136811127
2-(dimethylamino)-6-oxo-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide
CID 136811128
2-(dimethylamino)-6-oxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide
CID 136811130
N-(4,4-difluoropiperidin-3-yl)-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137999936
2-(dimethylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)cyclohexyl]butan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 147809065
N-[2-(aminomethyl)cyclohexyl]-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 65828583
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 65840424
N-[(1S)-1-cyclohexylethyl]-N'-[(6-oxo-1,6-dihydropyrimidin-4-yl)methyl]urea
CID 135859809
6-hydroxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide
CID 137147267

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-oxo-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-(dimethylamino)-6-oxo-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide (CID 136811129) is 2-(dimethylamino)-6-oxo-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-6-oxo-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-(dimethylamino)-6-oxo-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide is CN(C)c1nc(C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-(dimethylamino)-6-oxo-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is WEJRUEFBUKNFCC-RKDXNWHRSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-21(2)13-19-10(7-11(22)20-13)12(23)18-9-6-4-3-5-8(9)14(15,16)17/h7-9H,3-6H2,1-2H3,(H,18,23)(H,19,20,22)/t8-,9-/m1/s1.
What are the key properties of 2-(dimethylamino)-6-oxo-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide?
2-(dimethylamino)-6-oxo-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-oxo-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136811129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).