5-[benzyl(methyl)amino]-N-hexyl-2,4-dioxopyrimidine-1-carboxamide

C19H26N4O3 — CID 71654887

IUPAC5-[benzyl(methyl)amino]-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(N(C)Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O3/c1-3-4-5-9-12-20-18(25)23-14-16(17(24)21-19(23)26)22(2)13-15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,20,25)(H,21,24,26)
InChIKeyBEKIUIYGGADQSJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.31
Rot. Bonds8

About 5-[benzyl(methyl)amino]-N-hexyl-2,4-dioxopyrimidine-1-carboxamide

5-[benzyl(methyl)amino]-N-hexyl-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 71654887) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-N-hexyl-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
PubChem CID71654887
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name5-[benzyl(methyl)amino]-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(N(C)Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O3/c1-3-4-5-9-12-20-18(25)23-14-16(17(24)21-19(23)26)22(2)13-15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,20,25)(H,21,24,26)
InChIKeyBEKIUIYGGADQSJ-UHFFFAOYSA-N
XLogP2.31
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[benzyl(methyl)amino]-N-hexyl-6-hydroxy-2-oxo-1,6-dihydropyrimidine-3-carboxamide
CID 123450229
[1-(hexylcarbamoyl)-2,4-dioxopyrimidin-5-yl] acetate
CID 162654698
[2,4-dioxo-1-(7-phenylheptylcarbamoyl)pyrimidin-5-yl] acetate
CID 162666025
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide
CID 133237048
5-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide
CID 53380026
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(butylcarbamoyl)acetamide
CID 55478282
3-benzoyl-5-fluoro-N-octyl-2,4-dioxopyrimidine-1-carboxamide
CID 72550231
3-hexyl-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea
CID 30694058
N-[5-(4-hydroxyphenyl)pentyl]-2,4-dioxopyrimidine-1-carboxamide
CID 163965782
1-benzyl-1,2-dimethyl-3-pentylguanidine
CID 110951158
2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide
CID 111082009

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 5-[benzyl(methyl)amino]-N-hexyl-2,4-dioxopyrimidine-1-carboxamide (CID 71654887) is 5-[benzyl(methyl)amino]-N-hexyl-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 5-[benzyl(methyl)amino]-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 5-[benzyl(methyl)amino]-N-hexyl-2,4-dioxopyrimidine-1-carboxamide is CCCCCCNC(=O)n1cc(N(C)Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[benzyl(methyl)amino]-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is BEKIUIYGGADQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-3-4-5-9-12-20-18(25)23-14-16(17(24)21-19(23)26)22(2)13-15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,20,25)(H,21,24,26).
What are the key properties of 5-[benzyl(methyl)amino]-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
5-[benzyl(methyl)amino]-N-hexyl-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-N-hexyl-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 71654887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).