2-(dimethylamino)-N-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide

C19H20F4N4O2 — CID 137162810

IUPAC2-(dimethylamino)-N-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN(C)c1nc(C(=O)N[C@@H](c2ccc(C(F)(F)F)c(F)c2)C2(C)CC2)cc(=O)[nH]1
InChIInChI=1S/C19H20F4N4O2/c1-18(6-7-18)15(10-4-5-11(12(20)8-10)19(21,22)23)26-16(29)13-9-14(28)25-17(24-13)27(2)3/h4-5,8-9,15H,6-7H2,1-3H3,(H,26,29)(H,24,25,28)/t15-/m0/s1
InChIKeyVUMPWZLJNKQRAL-HNNXBMFYSA-N
MW412.39 g/mol
LogP3.27
Rot. Bonds5

About 2-(dimethylamino)-N-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide

2-(dimethylamino)-N-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137162810) has the molecular formula C19H20F4N4O2 and a molecular weight of 412.39 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID137162810
Molecular FormulaC19H20F4N4O2
Molecular Weight412.39 g/mol
Exact Mass412.15
IUPAC Name2-(dimethylamino)-N-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN(C)c1nc(C(=O)N[C@@H](c2ccc(C(F)(F)F)c(F)c2)C2(C)CC2)cc(=O)[nH]1
InChIInChI=1S/C19H20F4N4O2/c1-18(6-7-18)15(10-4-5-11(12(20)8-10)19(21,22)23)26-16(29)13-9-14(28)25-17(24-13)27(2)3/h4-5,8-9,15H,6-7H2,1-3H3,(H,26,29)(H,24,25,28)/t15-/m0/s1
InChIKeyVUMPWZLJNKQRAL-HNNXBMFYSA-N
XLogP3.27
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-[(R)-(1-methylcyclopropyl)-[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137162817
N-[1-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137302110
N-[[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136983191
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-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-(hydroxymethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982662
2-cyclopropyl-N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982737
N-[cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-ethyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 137126182
4-[(3R)-3-(4-tert-butylphenyl)-3-(1-methylcyclopropyl)propanoyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 158975215
N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
CID 136982704
N-[(1R)-1-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137162908
N-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]ethyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137146211

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 137162810) is 2-(dimethylamino)-N-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide is CN(C)c1nc(C(=O)N[C@@H](c2ccc(C(F)(F)F)c(F)c2)C2(C)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-(dimethylamino)-N-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is VUMPWZLJNKQRAL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20F4N4O2/c1-18(6-7-18)15(10-4-5-11(12(20)8-10)19(21,22)23)26-16(29)13-9-14(28)25-17(24-13)27(2)3/h4-5,8-9,15H,6-7H2,1-3H3,(H,26,29)(H,24,25,28)/t15-/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
2-(dimethylamino)-N-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 412.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137162810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).