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

C10H18N4O2 — CID 136866826

IUPAC5-amino-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCCCCCO)nc[nH]c1=O
InChIInChI=1S/C10H18N4O2/c11-8-9(13-7-14-10(8)16)12-5-3-1-2-4-6-15/h7,15H,1-6,11H2,(H2,12,13,14,16)
InChIKeyWBSPWTLJWPHFHN-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.32
Rot. Bonds7

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

5-amino-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one (PubChem CID 136866826) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-amino-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
PubChem CID136866826
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-amino-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCCCCCO)nc[nH]c1=O
InChIInChI=1S/C10H18N4O2/c11-8-9(13-7-14-10(8)16)12-5-3-1-2-4-6-15/h7,15H,1-6,11H2,(H2,12,13,14,16)
InChIKeyWBSPWTLJWPHFHN-UHFFFAOYSA-N
XLogP0.32
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.32
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

N-[4-(3-hydroxypentylamino)-5-(methylideneamino)-6-oxo-1H-pyrimidin-2-yl]acetamide
CID 137084782
5-amino-4-[(4-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
CID 136695132
5-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746821
5-amino-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746832
5-amino-4-(6-aminohexylamino)-1H-pyrimidin-6-one
CID 136755773
5-amino-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759212
5-amino-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766319
5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772467
5-amino-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786671
5-amino-4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847965
5-amino-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849671
5-amino-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136857359

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one (CID 136866826) is 5-amino-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one is Nc1c(NCCCCCCO)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one?
The InChIKey is WBSPWTLJWPHFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c11-8-9(13-7-14-10(8)16)12-5-3-1-2-4-6-15/h7,15H,1-6,11H2,(H2,12,13,14,16).
What are the key properties of 5-amino-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one?
5-amino-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 0.32, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136866826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).