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

C10H15BrClN3O — CID 136829849

IUPAC5-bromo-4-[5-chloropentyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCCCCCl)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrClN3O/c1-15(6-4-2-3-5-12)9-8(11)10(16)14-7-13-9/h7H,2-6H2,1H3,(H,13,14,16)
InChIKeyXAEHCIOKSPDEQG-UHFFFAOYSA-N
MW308.61 g/mol
LogP2.38
Rot. Bonds6

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

5-bromo-4-[5-chloropentyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 136829849) has the molecular formula C10H15BrClN3O and a molecular weight of 308.61 g/mol. Its IUPAC name is 5-bromo-4-[5-chloropentyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[5-chloropentyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID136829849
Molecular FormulaC10H15BrClN3O
Molecular Weight308.61 g/mol
Exact Mass307.01
IUPAC Name5-bromo-4-[5-chloropentyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCCCCCl)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrClN3O/c1-15(6-4-2-3-5-12)9-8(11)10(16)14-7-13-9/h7H,2-6H2,1H3,(H,13,14,16)
InChIKeyXAEHCIOKSPDEQG-UHFFFAOYSA-N
XLogP2.38
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.61
LogP ≤ 52.38
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'}

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Related Compounds

5-bromo-4-[2-(2-chloroethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704116
5-bromo-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749171
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-bromo-4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136758183
5-bromo-4-(5-chloropentylamino)-1H-pyrimidin-6-one
CID 136759227
5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136772456
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
4-[5-bromopentyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136829845
5-bromo-4-[5-bromopentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136829846

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[5-chloropentyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[5-chloropentyl(methyl)amino]-1H-pyrimidin-6-one (CID 136829849) is 5-bromo-4-[5-chloropentyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[5-chloropentyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[5-chloropentyl(methyl)amino]-1H-pyrimidin-6-one is CN(CCCCCCl)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[5-chloropentyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is XAEHCIOKSPDEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClN3O/c1-15(6-4-2-3-5-12)9-8(11)10(16)14-7-13-9/h7H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 5-bromo-4-[5-chloropentyl(methyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[5-chloropentyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 308.61 g/mol, XLogP of 2.38, 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-chloropentyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136829849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).