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

C10H15BrClN3O — CID 136755789

IUPAC5-bromo-4-(6-chlorohexylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCCCCCl)c1Br
InChIInChI=1S/C10H15BrClN3O/c11-8-9(14-7-15-10(8)16)13-6-4-2-1-3-5-12/h7H,1-6H2,(H2,13,14,15,16)
InChIKeySDMVTVWTPRMNQA-UHFFFAOYSA-N
MW308.61 g/mol
LogP2.74
Rot. Bonds7

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

5-bromo-4-(6-chlorohexylamino)-1H-pyrimidin-6-one (PubChem CID 136755789) has the molecular formula C10H15BrClN3O and a molecular weight of 308.61 g/mol. Its IUPAC name is 5-bromo-4-(6-chlorohexylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(6-chlorohexylamino)-1H-pyrimidin-6-one
PubChem CID136755789
Molecular FormulaC10H15BrClN3O
Molecular Weight308.61 g/mol
Exact Mass307.01
IUPAC Name5-bromo-4-(6-chlorohexylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCCCCCl)c1Br
InChIInChI=1S/C10H15BrClN3O/c11-8-9(14-7-15-10(8)16)13-6-4-2-1-3-5-12/h7H,1-6H2,(H2,13,14,15,16)
InChIKeySDMVTVWTPRMNQA-UHFFFAOYSA-N
XLogP2.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.61
LogP ≤ 52.74
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'}

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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-bromo-4-[[2-(chloromethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136747501
4-(6-aminohexylamino)-5-bromo-1H-pyrimidin-6-one
CID 136755775
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-[(1-chloro-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136757493
5-chloro-4-(5-chloropentylamino)-1H-pyrimidin-6-one
CID 136759226
5-bromo-4-(5-chloropentylamino)-1H-pyrimidin-6-one
CID 136759227
4-(5-chloropentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136759228
5-bromo-4-(4-chlorobutylamino)-1H-pyrimidin-6-one
CID 136772481

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(6-chlorohexylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(6-chlorohexylamino)-1H-pyrimidin-6-one (CID 136755789) is 5-bromo-4-(6-chlorohexylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(6-chlorohexylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(6-chlorohexylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCCCCCCl)c1Br.
What is the InChIKey of 5-bromo-4-(6-chlorohexylamino)-1H-pyrimidin-6-one?
The InChIKey is SDMVTVWTPRMNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClN3O/c11-8-9(14-7-15-10(8)16)13-6-4-2-1-3-5-12/h7H,1-6H2,(H2,13,14,15,16).
What are the key properties of 5-bromo-4-(6-chlorohexylamino)-1H-pyrimidin-6-one?
5-bromo-4-(6-chlorohexylamino)-1H-pyrimidin-6-one has a molecular weight of 308.61 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(6-chlorohexylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136755789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).