5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one

C8H14N4O2 — CID 136772467

IUPAC5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCCCO)nc[nH]c1=O
InChIInChI=1S/C8H14N4O2/c9-6-7(10-3-1-2-4-13)11-5-12-8(6)14/h5,13H,1-4,9H2,(H2,10,11,12,14)
InChIKeyCAFNBKRJPPOSOW-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.46
Rot. Bonds5

About 5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one

5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one (PubChem CID 136772467) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
PubChem CID136772467
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCCCO)nc[nH]c1=O
InChIInChI=1S/C8H14N4O2/c9-6-7(10-3-1-2-4-13)11-5-12-8(6)14/h5,13H,1-4,9H2,(H2,10,11,12,14)
InChIKeyCAFNBKRJPPOSOW-UHFFFAOYSA-N
XLogP-0.46
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136849682
2-amino-9-(1,4-dihydroxybutyl)-7,8-dihydro-1H-purin-6-one
CID 135753904
9-(3-hydroxypropyl)-7,8-dihydro-1H-purin-6-one
CID 136355147
2-amino-9-(4-hydroxybutyl)-7,8-dihydro-1H-purin-6-one
CID 136397700
2-amino-4-(4-hydroxybutylamino)-5-nitroso-1H-pyrimidin-6-one
CID 136426065
N-[2-amino-4-(4-hydroxybutylamino)-6-oxo-1H-pyrimidin-5-yl]acetamide
CID 136426067
2,8-diamino-9-(4-hydroxybutyl)-7,8-dihydro-1H-purin-6-one
CID 136426111
2-Amino-9-(4-hydroxybutyl)-1,7-dihydropurine-6,8-dione
CID 136426123
2-amino-8-hydroxy-9-(4-hydroxybutyl)-7,8-dihydro-1H-purin-6-one
CID 136426124
[1-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-4-hydroxybutan-2-yl]urea
CID 136456043
7-(4-Hydroxybutyl)-1,9-dihydropurine-6,8-dione
CID 176101527
5-amino-4-(3-methoxypropylamino)-1H-pyrimidin-6-one
CID 135568311

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one (CID 136772467) is 5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one is Nc1c(NCCCCO)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one?
The InChIKey is CAFNBKRJPPOSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c9-6-7(10-3-1-2-4-13)11-5-12-8(6)14/h5,13H,1-4,9H2,(H2,10,11,12,14).
What are the key properties of 5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one?
5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one has a molecular weight of 198.23 g/mol, XLogP of -0.46, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136772467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).