N-[(1R)-1-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide

C18H21F3N4O3 — CID 137162908

IUPACN-[(1R)-1-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(N(C)C)n1)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C18H21F3N4O3/c1-9(2)15(10-5-6-13(11(19)7-10)28-17(20)21)24-16(27)12-8-14(26)23-18(22-12)25(3)4/h5-9,15,17H,1-4H3,(H,24,27)(H,22,23,26)/t15-/m1/s1
InChIKeyHTVBTSXTDZLIGG-OAHLLOKOSA-N
MW398.39 g/mol
LogP2.70
Rot. Bonds7

About N-[(1R)-1-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide

N-[(1R)-1-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137162908) has the molecular formula C18H21F3N4O3 and a molecular weight of 398.39 g/mol. Its IUPAC name is N-[(1R)-1-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID137162908
Molecular FormulaC18H21F3N4O3
Molecular Weight398.39 g/mol
Exact Mass398.16
IUPAC NameN-[(1R)-1-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(N(C)C)n1)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C18H21F3N4O3/c1-9(2)15(10-5-6-13(11(19)7-10)28-17(20)21)24-16(27)12-8-14(26)23-18(22-12)25(3)4/h5-9,15,17H,1-4H3,(H,24,27)(H,22,23,26)/t15-/m1/s1
InChIKeyHTVBTSXTDZLIGG-OAHLLOKOSA-N
XLogP2.70
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137162874
2-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137302195
N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-2-(methylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137302129
N-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]ethyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137146211
2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 162615981
N-[(1R)-1-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-2-methylpropyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136983023
2-(dimethylamino)-N-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137162810
N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-2-[methyl(2-methylpropyl)amino]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137045768
N-[1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137302194
N-[1-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137302110
2-[cyclopropylmethyl(methyl)amino]-N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxyethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 162543213
2-(dimethylamino)-N-[(R)-(1-methylcyclopropyl)-[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137162817

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide (CID 137162908) is N-[(1R)-1-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide is CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(N(C)C)n1)c1ccc(OC(F)F)c(F)c1.
What is the InChIKey of N-[(1R)-1-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is HTVBTSXTDZLIGG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21F3N4O3/c1-9(2)15(10-5-6-13(11(19)7-10)28-17(20)21)24-16(27)12-8-14(26)23-18(22-12)25(3)4/h5-9,15,17H,1-4H3,(H,24,27)(H,22,23,26)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide?
N-[(1R)-1-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 398.39 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137162908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).