1-ethenyl-3-[5-hydroxy-6-(propylamino)hexyl]pyrimidine-2,4-dione

C15H25N3O3 — CID 163921647

IUPAC1-ethenyl-3-[5-hydroxy-6-(propylamino)hexyl]pyrimidine-2,4-dione
SMILESC=Cn1ccc(=O)n(CCCCC(O)CNCCC)c1=O
InChIInChI=1S/C15H25N3O3/c1-3-9-16-12-13(19)7-5-6-10-18-14(20)8-11-17(4-2)15(18)21/h4,8,11,13,16,19H,2-3,5-7,9-10,12H2,1H3
InChIKeyRAXBVFNCMPGHKV-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.64
Rot. Bonds10

About 1-ethenyl-3-[5-hydroxy-6-(propylamino)hexyl]pyrimidine-2,4-dione

1-ethenyl-3-[5-hydroxy-6-(propylamino)hexyl]pyrimidine-2,4-dione (PubChem CID 163921647) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-ethenyl-3-[5-hydroxy-6-(propylamino)hexyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethenyl-3-[5-hydroxy-6-(propylamino)hexyl]pyrimidine-2,4-dione
PubChem CID163921647
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-ethenyl-3-[5-hydroxy-6-(propylamino)hexyl]pyrimidine-2,4-dione
SMILESC=Cn1ccc(=O)n(CCCCC(O)CNCCC)c1=O
InChIInChI=1S/C15H25N3O3/c1-3-9-16-12-13(19)7-5-6-10-18-14(20)8-11-17(4-2)15(18)21/h4,8,11,13,16,19H,2-3,5-7,9-10,12H2,1H3
InChIKeyRAXBVFNCMPGHKV-UHFFFAOYSA-N
XLogP0.64
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-Dihydroxypent-1-yl)uracil
CID 452402
1-(5-Hydroxypentyl)uracil
CID 11521261
1-(6-Hydroxyhexyl)uracil
CID 44413566
1-(3,6-Dihydroxyhexyl)pyrimidine-2,4-dione
CID 44461484
1-((3-(l-Prolinol)-1-yl)-propyl)uracil
CID 49845538
1-((4-(l-Prolinol)-1-yl)-butyl)uracil
CID 49845540
3-((2-(l-Prolinol)-1-yl)-ethyl)uracil
CID 49845543
3-[10-Hydroxy-11-(octylamino)undecyl]-1-methyl-pyrimidine-2,4-dione
CID 500518
1-(5'-Hydroxyhexylcarbamoyl)-5-fluorouracil
CID 188266
5-Hydroxypentyluracil
CID 107103893
2,2,2-trifluoro-N-[6-[3-(2-hydroxybutyl)-2,6-dioxopyrimidin-1-yl]hexyl]acetamide
CID 58979958
1-[(2R,3S)-2-[bis(prop-2-enyl)amino]-3-hydroxyhexyl]pyrimidine-2,4-dione
CID 10380505

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-[5-hydroxy-6-(propylamino)hexyl]pyrimidine-2,4-dione?
The IUPAC name of 1-ethenyl-3-[5-hydroxy-6-(propylamino)hexyl]pyrimidine-2,4-dione (CID 163921647) is 1-ethenyl-3-[5-hydroxy-6-(propylamino)hexyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethenyl-3-[5-hydroxy-6-(propylamino)hexyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethenyl-3-[5-hydroxy-6-(propylamino)hexyl]pyrimidine-2,4-dione is C=Cn1ccc(=O)n(CCCCC(O)CNCCC)c1=O.
What is the InChIKey of 1-ethenyl-3-[5-hydroxy-6-(propylamino)hexyl]pyrimidine-2,4-dione?
The InChIKey is RAXBVFNCMPGHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-9-16-12-13(19)7-5-6-10-18-14(20)8-11-17(4-2)15(18)21/h4,8,11,13,16,19H,2-3,5-7,9-10,12H2,1H3.
What are the key properties of 1-ethenyl-3-[5-hydroxy-6-(propylamino)hexyl]pyrimidine-2,4-dione?
1-ethenyl-3-[5-hydroxy-6-(propylamino)hexyl]pyrimidine-2,4-dione has a molecular weight of 295.38 g/mol, XLogP of 0.64, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[5-hydroxy-6-(propylamino)hexyl]pyrimidine-2,4-dione is sourced from PubChem (CID 163921647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).