2-(dimethylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)cyclohexyl]butan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide

C18H26F4N4O2 — CID 147809065

IUPAC2-(dimethylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)cyclohexyl]butan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCCC(C)(NC(=O)c1cc(=O)[nH]c(N(C)C)n1)C1CCC(C(F)(F)F)CC1F
InChIInChI=1S/C18H26F4N4O2/c1-5-17(2,11-7-6-10(8-12(11)19)18(20,21)22)25-15(28)13-9-14(27)24-16(23-13)26(3)4/h9-12H,5-8H2,1-4H3,(H,25,28)(H,23,24,27)
InChIKeyHMZWOKPUOLRJLE-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.05
Rot. Bonds5

About 2-(dimethylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)cyclohexyl]butan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide

2-(dimethylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)cyclohexyl]butan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 147809065) has the molecular formula C18H26F4N4O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)cyclohexyl]butan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)cyclohexyl]butan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID147809065
Molecular FormulaC18H26F4N4O2
Molecular Weight406.42 g/mol
Exact Mass406.20
IUPAC Name2-(dimethylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)cyclohexyl]butan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCCC(C)(NC(=O)c1cc(=O)[nH]c(N(C)C)n1)C1CCC(C(F)(F)F)CC1F
InChIInChI=1S/C18H26F4N4O2/c1-5-17(2,11-7-6-10(8-12(11)19)18(20,21)22)25-15(28)13-9-14(27)24-16(23-13)26(3)4/h9-12H,5-8H2,1-4H3,(H,25,28)(H,23,24,27)
InChIKeyHMZWOKPUOLRJLE-UHFFFAOYSA-N
XLogP3.05
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(dimethylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)cyclohexyl]butan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide with MolForge

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Related Compounds

2-(dimethylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137162845
N-[(2R)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137162894
N-[1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137302194
N-[cyclopropyl-[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137302091
2-(dimethylamino)-4-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]butanoyl]-1H-pyrimidin-6-one
CID 159514074
N-[1-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137302110
4-[(3S)-3-[4-(difluoromethyl)phenyl]pentanoyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 161301681
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
2-[cyclopropylmethyl(methyl)amino]-N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxyethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 162543213
4-[(3R)-3-(4-tert-butylphenyl)-3-(1-methylcyclopropyl)propanoyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 158975215
2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one
CID 135973670

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)cyclohexyl]butan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)cyclohexyl]butan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 147809065) is 2-(dimethylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)cyclohexyl]butan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)cyclohexyl]butan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)cyclohexyl]butan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide is CCC(C)(NC(=O)c1cc(=O)[nH]c(N(C)C)n1)C1CCC(C(F)(F)F)CC1F.
What is the InChIKey of 2-(dimethylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)cyclohexyl]butan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is HMZWOKPUOLRJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F4N4O2/c1-5-17(2,11-7-6-10(8-12(11)19)18(20,21)22)25-15(28)13-9-14(27)24-16(23-13)26(3)4/h9-12H,5-8H2,1-4H3,(H,25,28)(H,23,24,27).
What are the key properties of 2-(dimethylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)cyclohexyl]butan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
2-(dimethylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)cyclohexyl]butan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 3.05, 5 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-fluoro-4-(trifluoromethyl)cyclohexyl]butan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 147809065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).