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

C21H22N4O — CID 109305037

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 Name2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109305037
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-[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
XLogP3.78
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide
CID 109305008
2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide
CID 109305016
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921
2-[benzyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906340
2-[benzyl(methyl)amino]-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305096
2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109301765
N-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide
CID 109306808
1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109047506
2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112891014
N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109314005
[2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299151
[2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300530

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).