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

C9H14BrN3O2 — CID 136902415

IUPAC5-bromo-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
SMILESCC(O)CCCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H14BrN3O2/c1-6(14)3-2-4-11-8-7(10)9(15)13-5-12-8/h5-6,14H,2-4H2,1H3,(H2,11,12,13,15)
InChIKeyLWFWBHIXRNPFKP-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.11
Rot. Bonds5

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

5-bromo-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one (PubChem CID 136902415) has the molecular formula C9H14BrN3O2 and a molecular weight of 276.13 g/mol. Its IUPAC name is 5-bromo-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
PubChem CID136902415
Molecular FormulaC9H14BrN3O2
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Name5-bromo-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
SMILESCC(O)CCCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H14BrN3O2/c1-6(14)3-2-4-11-8-7(10)9(15)13-5-12-8/h5-6,14H,2-4H2,1H3,(H2,11,12,13,15)
InChIKeyLWFWBHIXRNPFKP-UHFFFAOYSA-N
XLogP1.11
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-4-(4-hydroxypentylamino)-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-[(4-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
CID 136695136
5-bromo-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703829
5-bromo-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703838
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-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136772450
5-bromo-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772475
5-bromo-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one
CID 136805767
5-bromo-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
CID 136811794
5-bromo-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817759
5-bromo-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136857351

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one (CID 136902415) is 5-bromo-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one is CC(O)CCCNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one?
The InChIKey is LWFWBHIXRNPFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2/c1-6(14)3-2-4-11-8-7(10)9(15)13-5-12-8/h5-6,14H,2-4H2,1H3,(H2,11,12,13,15).
What are the key properties of 5-bromo-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one?
5-bromo-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one has a molecular weight of 276.13 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136902415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).