4-amino-1-tridecan-6-ylpyrimidin-2-one

C17H31N3O — CID 135183581

IUPAC4-amino-1-tridecan-6-ylpyrimidin-2-one
SMILESCCCCCCCC(CCCCC)n1ccc(N)nc1=O
InChIInChI=1S/C17H31N3O/c1-3-5-7-8-10-12-15(11-9-6-4-2)20-14-13-16(18)19-17(20)21/h13-15H,3-12H2,1-2H3,(H2,18,19,21)
InChIKeySDZOQFDOJIKUPY-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.31
Rot. Bonds11

About 4-amino-1-tridecan-6-ylpyrimidin-2-one

4-amino-1-tridecan-6-ylpyrimidin-2-one (PubChem CID 135183581) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-amino-1-tridecan-6-ylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-tridecan-6-ylpyrimidin-2-one
PubChem CID135183581
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name4-amino-1-tridecan-6-ylpyrimidin-2-one
SMILESCCCCCCCC(CCCCC)n1ccc(N)nc1=O
InChIInChI=1S/C17H31N3O/c1-3-5-7-8-10-12-15(11-9-6-4-2)20-14-13-16(18)19-17(20)21/h13-15H,3-12H2,1-2H3,(H2,18,19,21)
InChIKeySDZOQFDOJIKUPY-UHFFFAOYSA-N
XLogP4.31
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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4-hydroxy-1-pentadecan-8-ylpyridin-2-one
CID 167039586
(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4,4-difluorooxolan-3-yl)pentadecanoic acid
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2-amino-9-tetradecan-7-yl-1H-purin-6-one
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(4-amino-2-oxopyrimidin-1-yl)-butyl-dimethylazanium
CID 123671048
4-amino-1-methylpyrimidin-2-one;propane
CID 143278150
4-amino-1-(1-methoxy-2-methylsulfanylethyl)pyrimidin-2-one
CID 91162664
4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one
CID 71218250
4-amino-1-(1-aminoprop-2-enyl)pyrimidin-2-one
CID 69107889
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CID 90410031
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CID 70991882

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-tridecan-6-ylpyrimidin-2-one?
The IUPAC name of 4-amino-1-tridecan-6-ylpyrimidin-2-one (CID 135183581) is 4-amino-1-tridecan-6-ylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-tridecan-6-ylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-tridecan-6-ylpyrimidin-2-one is CCCCCCCC(CCCCC)n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-tridecan-6-ylpyrimidin-2-one?
The InChIKey is SDZOQFDOJIKUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-3-5-7-8-10-12-15(11-9-6-4-2)20-14-13-16(18)19-17(20)21/h13-15H,3-12H2,1-2H3,(H2,18,19,21).
What are the key properties of 4-amino-1-tridecan-6-ylpyrimidin-2-one?
4-amino-1-tridecan-6-ylpyrimidin-2-one has a molecular weight of 293.45 g/mol, XLogP of 4.31, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-tridecan-6-ylpyrimidin-2-one is sourced from PubChem (CID 135183581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).