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

C9H13BrClN3O — CID 136759227

IUPAC5-bromo-4-(5-chloropentylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCCCCl)c1Br
InChIInChI=1S/C9H13BrClN3O/c10-7-8(13-6-14-9(7)15)12-5-3-1-2-4-11/h6H,1-5H2,(H2,12,13,14,15)
InChIKeyCFYORPDLXFQXKD-UHFFFAOYSA-N
MW294.58 g/mol
LogP2.35
Rot. Bonds6

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

5-bromo-4-(5-chloropentylamino)-1H-pyrimidin-6-one (PubChem CID 136759227) has the molecular formula C9H13BrClN3O and a molecular weight of 294.58 g/mol. Its IUPAC name is 5-bromo-4-(5-chloropentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(5-chloropentylamino)-1H-pyrimidin-6-one
PubChem CID136759227
Molecular FormulaC9H13BrClN3O
Molecular Weight294.58 g/mol
Exact Mass292.99
IUPAC Name5-bromo-4-(5-chloropentylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCCCCl)c1Br
InChIInChI=1S/C9H13BrClN3O/c10-7-8(13-6-14-9(7)15)12-5-3-1-2-4-11/h6H,1-5H2,(H2,12,13,14,15)
InChIKeyCFYORPDLXFQXKD-UHFFFAOYSA-N
XLogP2.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.58
LogP ≤ 52.35
H-Bond Donors ≤ 52
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-chloropentylamino)-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-[2-(2-chloroethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704116
5-bromo-4-[[2-(chloromethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136747497
5-chloro-4-(6-chlorohexylamino)-1H-pyrimidin-6-one
CID 136755785
4-(6-chlorohexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136755788
5-bromo-4-(6-chlorohexylamino)-1H-pyrimidin-6-one
CID 136755789
5-bromo-4-[(1-chloro-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136757493
5-chloro-4-(5-chloropentylamino)-1H-pyrimidin-6-one
CID 136759226
4-(5-chloropentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136759228
5-bromo-4-(4-chlorobutylamino)-1H-pyrimidin-6-one
CID 136772481
5-bromo-4-[(2-chloro-3-ethylpentyl)amino]-1H-pyrimidin-6-one
CID 136817748
5-bromo-4-[3-chloropropyl(cyclobutyl)amino]-1H-pyrimidin-6-one
CID 136827325

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(5-chloropentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(5-chloropentylamino)-1H-pyrimidin-6-one (CID 136759227) is 5-bromo-4-(5-chloropentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(5-chloropentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(5-chloropentylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCCCCCl)c1Br.
What is the InChIKey of 5-bromo-4-(5-chloropentylamino)-1H-pyrimidin-6-one?
The InChIKey is CFYORPDLXFQXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrClN3O/c10-7-8(13-6-14-9(7)15)12-5-3-1-2-4-11/h6H,1-5H2,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-(5-chloropentylamino)-1H-pyrimidin-6-one?
5-bromo-4-(5-chloropentylamino)-1H-pyrimidin-6-one has a molecular weight of 294.58 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(5-chloropentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136759227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).