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

C10H15Br2N3O — CID 136829846

IUPAC5-bromo-4-[5-bromopentyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCCCCBr)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15Br2N3O/c1-15(6-4-2-3-5-11)9-8(12)10(16)14-7-13-9/h7H,2-6H2,1H3,(H,13,14,16)
InChIKeyZVBCAXNDOWTKLX-UHFFFAOYSA-N
MW353.06 g/mol
LogP2.53
Rot. Bonds6

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

5-bromo-4-[5-bromopentyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 136829846) has the molecular formula C10H15Br2N3O and a molecular weight of 353.06 g/mol. Its IUPAC name is 5-bromo-4-[5-bromopentyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[5-bromopentyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID136829846
Molecular FormulaC10H15Br2N3O
Molecular Weight353.06 g/mol
Exact Mass350.96
IUPAC Name5-bromo-4-[5-bromopentyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCCCCBr)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15Br2N3O/c1-15(6-4-2-3-5-11)9-8(12)10(16)14-7-13-9/h7H,2-6H2,1H3,(H,13,14,16)
InChIKeyZVBCAXNDOWTKLX-UHFFFAOYSA-N
XLogP2.53
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.06
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-4-[5-bromopentyl(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

4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 136689849
5-bromo-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716229
5-bromo-4-(3-bromo-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749174
4-(6-aminohexylamino)-5-bromo-1H-pyrimidin-6-one
CID 136755775
5-bromo-4-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136758186
5-bromo-4-[4-(1-bromoethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136772459
5-bromo-4-[3-bromopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one
CID 136827322
5-bromo-4-[2-bromoethyl(cyclobutyl)amino]-1H-pyrimidin-6-one
CID 136827328
4-[5-bromopentyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136829845
4-[5-bromopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136829847
5-bromo-4-[5-chloropentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136829849
4-[5-aminopentyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136829854

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[5-bromopentyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[5-bromopentyl(methyl)amino]-1H-pyrimidin-6-one (CID 136829846) is 5-bromo-4-[5-bromopentyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[5-bromopentyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[5-bromopentyl(methyl)amino]-1H-pyrimidin-6-one is CN(CCCCCBr)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[5-bromopentyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is ZVBCAXNDOWTKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2N3O/c1-15(6-4-2-3-5-11)9-8(12)10(16)14-7-13-9/h7H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 5-bromo-4-[5-bromopentyl(methyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[5-bromopentyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 353.06 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[5-bromopentyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136829846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).