N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide

C23H26N4O — CID 109373544

IUPACN-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(NCCCc2ccccc2)nc(C)n1)c1ccccc1
InChIInChI=1S/C23H26N4O/c1-3-27(20-14-8-5-9-15-20)23(28)21-17-22(26-18(2)25-21)24-16-10-13-19-11-6-4-7-12-19/h4-9,11-12,14-15,17H,3,10,13,16H2,1-2H3,(H,24,25,26)
InChIKeyWTWNNXGDLHTXIO-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.50
Rot. Bonds8

About N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide

N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109373544) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
PubChem CID109373544
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(NCCCc2ccccc2)nc(C)n1)c1ccccc1
InChIInChI=1S/C23H26N4O/c1-3-27(20-14-8-5-9-15-20)23(28)21-17-22(26-18(2)25-21)24-16-10-13-19-11-6-4-7-12-19/h4-9,11-12,14-15,17H,3,10,13,16H2,1-2H3,(H,24,25,26)
InChIKeyWTWNNXGDLHTXIO-UHFFFAOYSA-N
XLogP4.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373533
N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368973
N-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide
CID 109362029
N-ethyl-2-methyl-6-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368555
6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109364480
N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109370385
6-(cyclopropylamino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109360869
2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373529
N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174862
2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109362188
N-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160792
N-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide
CID 109362083

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide (CID 109373544) is N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide is CCN(C(=O)c1cc(NCCCc2ccccc2)nc(C)n1)c1ccccc1.
What is the InChIKey of N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is WTWNNXGDLHTXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-3-27(20-14-8-5-9-15-20)23(28)21-17-22(26-18(2)25-21)24-16-10-13-19-11-6-4-7-12-19/h4-9,11-12,14-15,17H,3,10,13,16H2,1-2H3,(H,24,25,26).
What are the key properties of N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109373544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).