2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide

C24H28N4O — CID 109333713

IUPAC2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C)nc(N(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C24H28N4O/c1-4-5-16-27(3)23(29)22-17-19(2)25-24(26-22)28(21-14-10-7-11-15-21)18-20-12-8-6-9-13-20/h6-15,17H,4-5,16,18H2,1-3H3
InChIKeyDDQAWFMUWFBPIH-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.00
Rot. Bonds8

About 2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide

2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide (PubChem CID 109333713) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide
PubChem CID109333713
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C)nc(N(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C24H28N4O/c1-4-5-16-27(3)23(29)22-17-19(2)25-24(26-22)28(21-14-10-7-11-15-21)18-20-12-8-6-9-13-20/h6-15,17H,4-5,16,18H2,1-3H3
InChIKeyDDQAWFMUWFBPIH-UHFFFAOYSA-N
XLogP5.00
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide
CID 109320759
N-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109312336
5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109240320
N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330364
2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide
CID 109305016
N-ethyl-2-(N-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109336345
6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098082
4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide
CID 109211042
2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332530
2-[benzyl(ethyl)amino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325574
6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109099313
6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide
CID 109368269

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of 2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide (CID 109333713) is 2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(C)nc(N(Cc2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is DDQAWFMUWFBPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-4-5-16-27(3)23(29)22-17-19(2)25-24(26-22)28(21-14-10-7-11-15-21)18-20-12-8-6-9-13-20/h6-15,17H,4-5,16,18H2,1-3H3.
What are the key properties of 2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide?
2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 109333713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).