2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide

C23H26N4O — CID 109320759

IUPAC2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(C)nc(N(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-3-4-15-24-22(28)21-16-18(2)25-23(26-21)27(20-13-9-6-10-14-20)17-19-11-7-5-8-12-19/h5-14,16H,3-4,15,17H2,1-2H3,(H,24,28)
InChIKeySYFBQYPJCCNFNC-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.65
Rot. Bonds8

About 2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide

2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide (PubChem CID 109320759) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide
PubChem CID109320759
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(C)nc(N(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-3-4-15-24-22(28)21-16-18(2)25-23(26-21)27(20-13-9-6-10-14-20)17-19-11-7-5-8-12-19/h5-14,16H,3-4,15,17H2,1-2H3,(H,24,28)
InChIKeySYFBQYPJCCNFNC-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
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

2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332530
2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide
CID 109333713
2-[benzyl(ethyl)amino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325574
2-(N-ethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327723
2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300297
2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109330461
5-(N-benzylanilino)-N-butylpyridine-3-carboxamide
CID 109224497
2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324083
6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide
CID 109361770
N-ethyl-2-(N-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109336345
N-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109323750
2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336352

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide (CID 109320759) is 2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide is CCCCNC(=O)c1cc(C)nc(N(Cc2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide?
The InChIKey is SYFBQYPJCCNFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-3-4-15-24-22(28)21-16-18(2)25-23(26-21)27(20-13-9-6-10-14-20)17-19-11-7-5-8-12-19/h5-14,16H,3-4,15,17H2,1-2H3,(H,24,28).
What are the key properties of 2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide?
2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109320759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).