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

C10H16BrN3O2 — CID 136866827

IUPAC5-bromo-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCCCCO)c1Br
InChIInChI=1S/C10H16BrN3O2/c11-8-9(13-7-14-10(8)16)12-5-3-1-2-4-6-15/h7,15H,1-6H2,(H2,12,13,14,16)
InChIKeyLJUUIPPSKJNHLS-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.50
Rot. Bonds7

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

5-bromo-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one (PubChem CID 136866827) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 5-bromo-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
PubChem CID136866827
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name5-bromo-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCCCCO)c1Br
InChIInChI=1S/C10H16BrN3O2/c11-8-9(13-7-14-10(8)16)12-5-3-1-2-4-6-15/h7,15H,1-6H2,(H2,12,13,14,16)
InChIKeyLJUUIPPSKJNHLS-UHFFFAOYSA-N
XLogP1.50
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.50
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

5-bromo-4-[(4-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
CID 136695136
5-bromo-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704102
5-bromo-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759220
5-bromo-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766322
5-bromo-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772475
5-bromo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786670
5-bromo-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136857360
5-amino-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
CID 136866826
4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
CID 136866831
4-(6-hydroxyhexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136866832
5-chloro-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
CID 136866833
5-bromo-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136901124

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one (CID 136866827) is 5-bromo-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCCCCCO)c1Br.
What is the InChIKey of 5-bromo-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one?
The InChIKey is LJUUIPPSKJNHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c11-8-9(13-7-14-10(8)16)12-5-3-1-2-4-6-15/h7,15H,1-6H2,(H2,12,13,14,16).
What are the key properties of 5-bromo-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one?
5-bromo-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one has a molecular weight of 290.16 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136866827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).