2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide

C17H22N4O — CID 109305008

IUPAC2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C17H22N4O/c1-4-21(5-2)16(22)15-11-12-18-17(19-15)20(3)13-14-9-7-6-8-10-14/h6-12H,4-5,13H2,1-3H3
InChIKeyZQDQJVBOHNFUCD-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.60
Rot. Bonds6

About 2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide

2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide (PubChem CID 109305008) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide
PubChem CID109305008
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C17H22N4O/c1-4-21(5-2)16(22)15-11-12-18-17(19-15)20(3)13-14-9-7-6-8-10-14/h6-12H,4-5,13H2,1-3H3
InChIKeyZQDQJVBOHNFUCD-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109305037
2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide
CID 109305016
N-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide
CID 109306808
2-[benzyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906340
6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109369359
2-[benzyl(methyl)amino]-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305096
[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
2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
CID 109305045
4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216457
2-[benzyl(methyl)amino]-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305098
N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109306804

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide (CID 109305008) is 2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1ccnc(N(C)Cc2ccccc2)n1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide?
The InChIKey is ZQDQJVBOHNFUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-21(5-2)16(22)15-11-12-18-17(19-15)20(3)13-14-9-7-6-8-10-14/h6-12H,4-5,13H2,1-3H3.
What are the key properties of 2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide?
2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.60, 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,N-diethylpyrimidine-4-carboxamide is sourced from PubChem (CID 109305008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).