5-bromo-4-[1-(2-chlorophenyl)ethylamino]-1H-pyrimidin-6-one

C12H11BrClN3O — CID 136974899

IUPAC5-bromo-4-[1-(2-chlorophenyl)ethylamino]-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1Br)c1ccccc1Cl
InChIInChI=1S/C12H11BrClN3O/c1-7(8-4-2-3-5-9(8)14)17-11-10(13)12(18)16-6-15-11/h2-7H,1H3,(H2,15,16,17,18)
InChIKeyXXBQJGKMSWJQTP-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.36
Rot. Bonds3

About 5-bromo-4-[1-(2-chlorophenyl)ethylamino]-1H-pyrimidin-6-one

5-bromo-4-[1-(2-chlorophenyl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136974899) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is 5-bromo-4-[1-(2-chlorophenyl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[1-(2-chlorophenyl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136974899
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name5-bromo-4-[1-(2-chlorophenyl)ethylamino]-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1Br)c1ccccc1Cl
InChIInChI=1S/C12H11BrClN3O/c1-7(8-4-2-3-5-9(8)14)17-11-10(13)12(18)16-6-15-11/h2-7H,1H3,(H2,15,16,17,18)
InChIKeyXXBQJGKMSWJQTP-UHFFFAOYSA-N
XLogP3.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 136955885
5-bromo-4-[1-(2-chlorophenyl)ethyl-methylamino]-1H-pyrimidin-6-one
CID 136990160
5-methoxy-4-[1-(2-methylphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136974927
5-bromo-4-(4-bromopentan-2-ylamino)-1H-pyrimidin-6-one
CID 136972073
5-bromo-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975262
6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine
CID 113228015
4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136978383
5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80802259
5-bromo-4-(4-methoxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136956853
5-bromo-4-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one
CID 136956305
5-bromo-4-(1-chloropentan-3-ylamino)-1H-pyrimidin-6-one
CID 136972120
3-[1-(2-chlorophenyl)ethylamino]-1-ethylpyrazin-2-one
CID 62940758

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[1-(2-chlorophenyl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[1-(2-chlorophenyl)ethylamino]-1H-pyrimidin-6-one (CID 136974899) is 5-bromo-4-[1-(2-chlorophenyl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[1-(2-chlorophenyl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[1-(2-chlorophenyl)ethylamino]-1H-pyrimidin-6-one is CC(Nc1nc[nH]c(=O)c1Br)c1ccccc1Cl.
What is the InChIKey of 5-bromo-4-[1-(2-chlorophenyl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is XXBQJGKMSWJQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-7(8-4-2-3-5-9(8)14)17-11-10(13)12(18)16-6-15-11/h2-7H,1H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-4-[1-(2-chlorophenyl)ethylamino]-1H-pyrimidin-6-one?
5-bromo-4-[1-(2-chlorophenyl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 328.60 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[1-(2-chlorophenyl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).