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

C17H19F3N4O3 — CID 166398821

IUPAC2-(dimethylamino)-N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cc(=O)[nH]c(N(C)C)n2)cc1C(F)(F)F
InChIInChI=1S/C17H19F3N4O3/c1-23(2)16-21-12(8-14(25)22-16)15(26)24(3)9-10-5-6-13(27-4)11(7-10)17(18,19)20/h5-8H,9H2,1-4H3,(H,21,22,25)
InChIKeyHKRWISTWVVTAOE-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.14
Rot. Bonds5

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

2-(dimethylamino)-N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 166398821) has the molecular formula C17H19F3N4O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID166398821
Molecular FormulaC17H19F3N4O3
Molecular Weight384.36 g/mol
Exact Mass384.14
IUPAC Name2-(dimethylamino)-N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cc(=O)[nH]c(N(C)C)n2)cc1C(F)(F)F
InChIInChI=1S/C17H19F3N4O3/c1-23(2)16-21-12(8-14(25)22-16)15(26)24(3)9-10-5-6-13(27-4)11(7-10)17(18,19)20/h5-8H,9H2,1-4H3,(H,21,22,25)
InChIKeyHKRWISTWVVTAOE-UHFFFAOYSA-N
XLogP2.14
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(dimethylamino)-N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide (CID 166398821) is 2-(dimethylamino)-N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide is COc1ccc(CN(C)C(=O)c2cc(=O)[nH]c(N(C)C)n2)cc1C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)-N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is HKRWISTWVVTAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3/c1-23(2)16-21-12(8-14(25)22-16)15(26)24(3)9-10-5-6-13(27-4)11(7-10)17(18,19)20/h5-8H,9H2,1-4H3,(H,21,22,25).
What are the key properties of 2-(dimethylamino)-N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
2-(dimethylamino)-N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 384.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 166398821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).