5-[benzyl(methyl)amino]-N-hexyl-6-hydroxy-2-oxo-1,6-dihydropyrimidine-3-carboxamide

C19H28N4O3 — CID 123450229

IUPAC5-[benzyl(methyl)amino]-N-hexyl-6-hydroxy-2-oxo-1,6-dihydropyrimidine-3-carboxamide
SMILESCCCCCCNC(=O)N1C=C(N(C)Cc2ccccc2)C(O)NC1=O
InChIInChI=1S/C19H28N4O3/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/h6-8,10-11,14,17,24H,3-5,9,12-13H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyZLVSNYAPTJPXBG-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.59
Rot. Bonds8

About 5-[benzyl(methyl)amino]-N-hexyl-6-hydroxy-2-oxo-1,6-dihydropyrimidine-3-carboxamide

5-[benzyl(methyl)amino]-N-hexyl-6-hydroxy-2-oxo-1,6-dihydropyrimidine-3-carboxamide (PubChem CID 123450229) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-N-hexyl-6-hydroxy-2-oxo-1,6-dihydropyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-N-hexyl-6-hydroxy-2-oxo-1,6-dihydropyrimidine-3-carboxamide
PubChem CID123450229
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name5-[benzyl(methyl)amino]-N-hexyl-6-hydroxy-2-oxo-1,6-dihydropyrimidine-3-carboxamide
SMILESCCCCCCNC(=O)N1C=C(N(C)Cc2ccccc2)C(O)NC1=O
InChIInChI=1S/C19H28N4O3/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/h6-8,10-11,14,17,24H,3-5,9,12-13H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyZLVSNYAPTJPXBG-UHFFFAOYSA-N
XLogP2.59
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-2,4-dioxopyrimidine-1-carboxamide
CID 71654887
2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide
CID 133237048
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109149705
1-benzyl-1,2-dimethyl-3-pentylguanidine
CID 110951158
2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide
CID 111082009
N'-benzyl-N-pentyl-N'-phenylpropanediamide
CID 108951958
2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide
CID 133148977
2-[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanyl-N-pentylacetamide
CID 5099411
N,N'-dihexyl-2-phenylpropanediamide
CID 3396321
N-dodecyl-2,2-diphenylacetamide
CID 5143289
N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide
CID 78801953

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-N-hexyl-6-hydroxy-2-oxo-1,6-dihydropyrimidine-3-carboxamide?
The IUPAC name of 5-[benzyl(methyl)amino]-N-hexyl-6-hydroxy-2-oxo-1,6-dihydropyrimidine-3-carboxamide (CID 123450229) is 5-[benzyl(methyl)amino]-N-hexyl-6-hydroxy-2-oxo-1,6-dihydropyrimidine-3-carboxamide.
What is the SMILES notation for 5-[benzyl(methyl)amino]-N-hexyl-6-hydroxy-2-oxo-1,6-dihydropyrimidine-3-carboxamide?
The canonical SMILES for 5-[benzyl(methyl)amino]-N-hexyl-6-hydroxy-2-oxo-1,6-dihydropyrimidine-3-carboxamide is CCCCCCNC(=O)N1C=C(N(C)Cc2ccccc2)C(O)NC1=O.
What is the InChIKey of 5-[benzyl(methyl)amino]-N-hexyl-6-hydroxy-2-oxo-1,6-dihydropyrimidine-3-carboxamide?
The InChIKey is ZLVSNYAPTJPXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/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/h6-8,10-11,14,17,24H,3-5,9,12-13H2,1-2H3,(H,20,25)(H,21,26).
What are the key properties of 5-[benzyl(methyl)amino]-N-hexyl-6-hydroxy-2-oxo-1,6-dihydropyrimidine-3-carboxamide?
5-[benzyl(methyl)amino]-N-hexyl-6-hydroxy-2-oxo-1,6-dihydropyrimidine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 2.59, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-N-hexyl-6-hydroxy-2-oxo-1,6-dihydropyrimidine-3-carboxamide is sourced from PubChem (CID 123450229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).