4-(5-hydroxypentylamino)-1H-pyrimidin-6-one

C9H15N3O2 — CID 136759219

IUPAC4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCCCO)nc[nH]1
InChIInChI=1S/C9H15N3O2/c13-5-3-1-2-4-10-8-6-9(14)12-7-11-8/h6-7,13H,1-5H2,(H2,10,11,12,14)
InChIKeyFDGUJNPDGUSMBA-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.34
Rot. Bonds6

About 4-(5-hydroxypentylamino)-1H-pyrimidin-6-one

4-(5-hydroxypentylamino)-1H-pyrimidin-6-one (PubChem CID 136759219) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(5-hydroxypentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
PubChem CID136759219
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCCCO)nc[nH]1
InChIInChI=1S/C9H15N3O2/c13-5-3-1-2-4-10-8-6-9(14)12-7-11-8/h6-7,13H,1-5H2,(H2,10,11,12,14)
InChIKeyFDGUJNPDGUSMBA-UHFFFAOYSA-N
XLogP0.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.34
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

2-Amino-6-(4-hydroxybutylamino)pyrimidin-4-ol
CID 135474610
2-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 20221222
2-amino-4-[[2-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136197575
4-[4-hydroxybutyl(propyl)amino]-1H-pyrimidin-6-one
CID 135412672
4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one
CID 135453817
4-[ethyl(4-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 135453823
4-[butyl(4-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 135492319
5-amino-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759212
4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one
CID 136759213
5-chloro-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759216
4-(5-hydroxypentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136759217
5-bromo-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759220

Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxypentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-hydroxypentylamino)-1H-pyrimidin-6-one (CID 136759219) is 4-(5-hydroxypentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-hydroxypentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-hydroxypentylamino)-1H-pyrimidin-6-one is O=c1cc(NCCCCCO)nc[nH]1.
What is the InChIKey of 4-(5-hydroxypentylamino)-1H-pyrimidin-6-one?
The InChIKey is FDGUJNPDGUSMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c13-5-3-1-2-4-10-8-6-9(14)12-7-11-8/h6-7,13H,1-5H2,(H2,10,11,12,14).
What are the key properties of 4-(5-hydroxypentylamino)-1H-pyrimidin-6-one?
4-(5-hydroxypentylamino)-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxypentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136759219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).