N-[4-(diethylamino)-2-methylphenyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

C24H25F3N4O — CID 53080279

IUPACN-[4-(diethylamino)-2-methylphenyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)nc2C)c(C)c1
InChIInChI=1S/C24H25F3N4O/c1-5-31(6-2)19-11-12-21(15(3)13-19)30-23(32)20-14-28-22(29-16(20)4)17-7-9-18(10-8-17)24(25,26)27/h7-14H,5-6H2,1-4H3,(H,30,32)
InChIKeyDWPCZSXLGRJFPC-UHFFFAOYSA-N
MW442.49 g/mol
LogP5.88
Rot. Bonds6

About N-[4-(diethylamino)-2-methylphenyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

N-[4-(diethylamino)-2-methylphenyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (PubChem CID 53080279) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
PubChem CID53080279
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)nc2C)c(C)c1
InChIInChI=1S/C24H25F3N4O/c1-5-31(6-2)19-11-12-21(15(3)13-19)30-23(32)20-14-28-22(29-16(20)4)17-7-9-18(10-8-17)24(25,26)27/h7-14H,5-6H2,1-4H3,(H,30,32)
InChIKeyDWPCZSXLGRJFPC-UHFFFAOYSA-N
XLogP5.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyphenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080271
N-(3,5-dimethoxyphenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080233
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 100801872
N-[(4-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080240
N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide
CID 959434
3-[4-(diethylamino)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109040830
6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109151666
6-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109152230
methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate
CID 108785560
2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265368
N-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 58919756
N-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791923

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (CID 53080279) is N-[4-(diethylamino)-2-methylphenyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is CCN(CC)c1ccc(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)nc2C)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is DWPCZSXLGRJFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O/c1-5-31(6-2)19-11-12-21(15(3)13-19)30-23(32)20-14-28-22(29-16(20)4)17-7-9-18(10-8-17)24(25,26)27/h7-14H,5-6H2,1-4H3,(H,30,32).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
N-[4-(diethylamino)-2-methylphenyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 53080279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).