5-bromo-4-[2-chloroethyl(cyclopentyl)amino]-1H-pyrimidin-6-one

C11H15BrClN3O — CID 136971779

IUPAC5-bromo-4-[2-chloroethyl(cyclopentyl)amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N(CCCl)C2CCCC2)c1Br
InChIInChI=1S/C11H15BrClN3O/c12-9-10(14-7-15-11(9)17)16(6-5-13)8-3-1-2-4-8/h7-8H,1-6H2,(H,14,15,17)
InChIKeyGTFOGQZODVYLRH-UHFFFAOYSA-N
MW320.62 g/mol
LogP2.52
Rot. Bonds4

About 5-bromo-4-[2-chloroethyl(cyclopentyl)amino]-1H-pyrimidin-6-one

5-bromo-4-[2-chloroethyl(cyclopentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136971779) has the molecular formula C11H15BrClN3O and a molecular weight of 320.62 g/mol. Its IUPAC name is 5-bromo-4-[2-chloroethyl(cyclopentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-chloroethyl(cyclopentyl)amino]-1H-pyrimidin-6-one
PubChem CID136971779
Molecular FormulaC11H15BrClN3O
Molecular Weight320.62 g/mol
Exact Mass319.01
IUPAC Name5-bromo-4-[2-chloroethyl(cyclopentyl)amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N(CCCl)C2CCCC2)c1Br
InChIInChI=1S/C11H15BrClN3O/c12-9-10(14-7-15-11(9)17)16(6-5-13)8-3-1-2-4-8/h7-8H,1-6H2,(H,14,15,17)
InChIKeyGTFOGQZODVYLRH-UHFFFAOYSA-N
XLogP2.52
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.62
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-6-chloro-3-cyclopentylpyrimidin-4-one
CID 114583414
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-[3-chloropropyl(cyclobutyl)amino]-1H-pyrimidin-6-one
CID 136827325
5-bromo-4-[2-chloroethyl(cyclobutyl)amino]-1H-pyrimidin-6-one
CID 136827331
5-bromo-4-[5-chloropentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136829849
5-Bromo-6-(cyclopentylamino)pyrimidin-4(3H)-one
CID 136854286
5-bromo-4-[(2-chlorocyclohexyl)-methylamino]-1H-pyrimidin-6-one
CID 136859490
5-bromo-4-(2-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136970379
5-chloro-4-[cyclopentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136970735
5-bromo-4-[cyclopentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136970736
5-chloro-4-[cyclopentyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136970783

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-chloroethyl(cyclopentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-chloroethyl(cyclopentyl)amino]-1H-pyrimidin-6-one (CID 136971779) is 5-bromo-4-[2-chloroethyl(cyclopentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-chloroethyl(cyclopentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-chloroethyl(cyclopentyl)amino]-1H-pyrimidin-6-one is O=c1[nH]cnc(N(CCCl)C2CCCC2)c1Br.
What is the InChIKey of 5-bromo-4-[2-chloroethyl(cyclopentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is GTFOGQZODVYLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3O/c12-9-10(14-7-15-11(9)17)16(6-5-13)8-3-1-2-4-8/h7-8H,1-6H2,(H,14,15,17).
What are the key properties of 5-bromo-4-[2-chloroethyl(cyclopentyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[2-chloroethyl(cyclopentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 320.62 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-chloroethyl(cyclopentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136971779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).