N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide

C19H26N4O — CID 109306804

IUPACN-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1nccc(C(=O)N(CC)Cc2ccccc2)n1
InChIInChI=1S/C19H26N4O/c1-3-5-9-13-20-19-21-14-12-17(22-19)18(24)23(4-2)15-16-10-7-6-8-11-16/h6-8,10-12,14H,3-5,9,13,15H2,1-2H3,(H,20,21,22)
InChIKeyGLVNHZXPAVOAAB-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.74
Rot. Bonds9

About N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide

N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide (PubChem CID 109306804) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide
PubChem CID109306804
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1nccc(C(=O)N(CC)Cc2ccccc2)n1
InChIInChI=1S/C19H26N4O/c1-3-5-9-13-20-19-21-14-12-17(22-19)18(24)23(4-2)15-16-10-7-6-8-11-16/h6-8,10-12,14H,3-5,9,13,15H2,1-2H3,(H,20,21,22)
InChIKeyGLVNHZXPAVOAAB-UHFFFAOYSA-N
XLogP3.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.74
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-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide
CID 109087067
N-benzyl-2-(5-chloro-2-methylanilino)-N-ethylpyrimidine-4-carboxamide
CID 109306840
N-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide
CID 109306808
N-benzyl-5-(butylamino)-N-ethylpyrazine-2-carboxamide
CID 109272566
N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109301738
N-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide
CID 109306869
N,N-diethyl-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308681
6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-dicarboxamide
CID 109093457
6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098082
2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide
CID 109305008
2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109301765
N-benzyl-N-octylpyridine-2-carboxamide
CID 42778827

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide (CID 109306804) is N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide is CCCCCNc1nccc(C(=O)N(CC)Cc2ccccc2)n1.
What is the InChIKey of N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide?
The InChIKey is GLVNHZXPAVOAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-5-9-13-20-19-21-14-12-17(22-19)18(24)23(4-2)15-16-10-7-6-8-11-16/h6-8,10-12,14H,3-5,9,13,15H2,1-2H3,(H,20,21,22).
What are the key properties of N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide?
N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109306804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).