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

Name: N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₂₆N₄O — CID 109306804

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide
PubChem CID	109306804
Molecular Formula	C₁₉H₂₆N₄O
Molecular Weight	326.44 g/mol
Exact Mass	326.21
IUPAC Name	N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide
SMILES	CCCCCNc1nccc(C(=O)N(CC)Cc2ccccc2)n1
InChI	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)
InChIKey	GLVNHZXPAVOAAB-UHFFFAOYSA-N
XLogP	3.74
TPSA	58.12 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	9
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.44
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 109306804 — identifiers, structure, computed properties (public domain)

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