2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide

C18H24N4O — CID 109305016

IUPAC2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccnc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-4-5-13-21(2)17(23)16-11-12-19-18(20-16)22(3)14-15-9-7-6-8-10-15/h6-12H,4-5,13-14H2,1-3H3
InChIKeyKKALRKUQLLFUFG-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.99
Rot. Bonds7

About 2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide

2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide (PubChem CID 109305016) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide
PubChem CID109305016
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccnc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-4-5-13-21(2)17(23)16-11-12-19-18(20-16)22(3)14-15-9-7-6-8-10-15/h6-12H,4-5,13-14H2,1-3H3
InChIKeyKKALRKUQLLFUFG-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.99
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
4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide
CID 109211042
N-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109312336
2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109305037
6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098082
6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109099313
N-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide
CID 109306808
2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide
CID 109333713
N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109312422
2-[benzyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906340
2-[benzyl(methyl)amino]-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305096
5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide
CID 109287711

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide (CID 109305016) is 2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1ccnc(N(C)Cc2ccccc2)n1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide?
The InChIKey is KKALRKUQLLFUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-5-13-21(2)17(23)16-11-12-19-18(20-16)22(3)14-15-9-7-6-8-10-15/h6-12H,4-5,13-14H2,1-3H3.
What are the key properties of 2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide?
2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.99, 7 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-butyl-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109305016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).