2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

C18H21F3N4O — CID 109312928

IUPAC2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nccc(C(=O)Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H21F3N4O/c1-3-11-25(12-4-2)17-22-10-9-15(24-17)16(26)23-14-7-5-13(6-8-14)18(19,20)21/h5-10H,3-4,11-12H2,1-2H3,(H,23,26)
InChIKeyQOUCAGKKRROVER-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.37
Rot. Bonds7

About 2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 109312928) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is 2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID109312928
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nccc(C(=O)Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H21F3N4O/c1-3-11-25(12-4-2)17-22-10-9-15(24-17)16(26)23-14-7-5-13(6-8-14)18(19,20)21/h5-10H,3-4,11-12H2,1-2H3,(H,23,26)
InChIKeyQOUCAGKKRROVER-UHFFFAOYSA-N
XLogP4.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]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

Related Compounds

2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109312894
ethyl 4-[[2-(dipropylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109312955
6-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109355298
2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112901322
4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109201247
2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109333587
2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109310729
2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109313447
2-(dipropylamino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109312892
2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109312235
2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297598
2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109302142

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 109312928) is 2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is CCCN(CCC)c1nccc(C(=O)Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is QOUCAGKKRROVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c1-3-11-25(12-4-2)17-22-10-9-15(24-17)16(26)23-14-7-5-13(6-8-14)18(19,20)21/h5-10H,3-4,11-12H2,1-2H3,(H,23,26).
What are the key properties of 2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109312928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).