5-bromo-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one

C10H16BrN3O2 — CID 136766322

IUPAC5-bromo-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCCCCO)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-14(5-3-2-4-6-15)9-8(11)10(16)13-7-12-9/h7,15H,2-6H2,1H3,(H,12,13,16)
InChIKeyNJPQDTXIFUJJAQ-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.13
Rot. Bonds6

About 5-bromo-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one

5-bromo-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 136766322) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 5-bromo-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID136766322
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name5-bromo-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCCCCO)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-14(5-3-2-4-6-15)9-8(11)10(16)13-7-12-9/h7,15H,2-6H2,1H3,(H,12,13,16)
InChIKeyNJPQDTXIFUJJAQ-UHFFFAOYSA-N
XLogP1.13
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759220
5-amino-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766319
4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766323
4-[5-hydroxypentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136766324
5-chloro-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766325
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-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136857351
5-bromo-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136857360
5-bromo-4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864258
5-bromo-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
CID 136866827
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-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one (CID 136766322) is 5-bromo-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one is CN(CCCCCO)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is NJPQDTXIFUJJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-14(5-3-2-4-6-15)9-8(11)10(16)13-7-12-9/h7,15H,2-6H2,1H3,(H,12,13,16).
What are the key properties of 5-bromo-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 290.16 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136766322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).