2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide

Name: 2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₂N₄O — CID 109305037

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

IUPAC2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide

SMILESCCN(C(=O)c1ccnc(N(C)Cc2ccccc2)n1)c1ccccc1

InChIInChI=1S/C21H22N4O/c1-3-25(18-12-8-5-9-13-18)20(26)19-14-15-22-21(23-19)24(2)16-17-10-6-4-7-11-17/h4-15H,3,16H2,1-2H3

InChIKeyYKNNIKNXINNIKB-UHFFFAOYSA-N

MW346.43 g/mol

LogP3.78

Rot. Bonds6

About 2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide

2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109305037) has the molecular formula C₂₁H₂₂N₄O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name	2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
PubChem CID	109305037
Molecular Formula	C₂₁H₂₂N₄O
Molecular Weight	346.43 g/mol
Exact Mass	346.18
IUPAC Name	2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
SMILES	CCN(C(=O)c1ccnc(N(C)Cc2ccccc2)n1)c1ccccc1
InChI	InChI=1S/C21H22N4O/c1-3-25(18-12-8-5-9-13-18)20(26)19-14-15-22-21(23-19)24(2)16-17-10-6-4-7-11-17/h4-15H,3,16H2,1-2H3
InChIKey	YKNNIKNXINNIKB-UHFFFAOYSA-N
XLogP	3.78
TPSA	49.33 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.43
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide?

The IUPAC name of 2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide (CID 109305037) is 2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide.

What is the SMILES notation for 2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide?

The canonical SMILES for 2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide is CCN(C(=O)c1ccnc(N(C)Cc2ccccc2)n1)c1ccccc1.

What is the InChIKey of 2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide?

The InChIKey is YKNNIKNXINNIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-3-25(18-12-8-5-9-13-18)20(26)19-14-15-22-21(23-19)24(2)16-17-10-6-4-7-11-17/h4-15H,3,16H2,1-2H3.

What are the key properties of 2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide?

2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109305037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 109305037 — identifiers, structure, computed properties (public domain)

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