2-amino-5-bromo-4-ethyl-1H-pyrimidin-6-one

C6H8BrN3O — CID 135480615

IUPAC2-amino-5-bromo-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N)[nH]c(=O)c1Br
InChIInChI=1S/C6H8BrN3O/c1-2-3-4(7)5(11)10-6(8)9-3/h2H2,1H3,(H3,8,9,10,11)
InChIKeyQGEPNHPGBOCLSU-UHFFFAOYSA-N
MW218.05 g/mol
LogP0.68
Rot. Bonds1

About 2-amino-5-bromo-4-ethyl-1H-pyrimidin-6-one

2-amino-5-bromo-4-ethyl-1H-pyrimidin-6-one (PubChem CID 135480615) has the molecular formula C6H8BrN3O and a molecular weight of 218.05 g/mol. Its IUPAC name is 2-amino-5-bromo-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-bromo-4-ethyl-1H-pyrimidin-6-one
PubChem CID135480615
Molecular FormulaC6H8BrN3O
Molecular Weight218.05 g/mol
Exact Mass216.99
IUPAC Name2-amino-5-bromo-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N)[nH]c(=O)c1Br
InChIInChI=1S/C6H8BrN3O/c1-2-3-4(7)5(11)10-6(8)9-3/h2H2,1H3,(H3,8,9,10,11)
InChIKeyQGEPNHPGBOCLSU-UHFFFAOYSA-N
XLogP0.68
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5-bromo-6-methyl-4-pyrimidinol
CID 135415622
2-amino-5-bromo-4-butyl-1H-pyrimidin-6-one
CID 136244490
2-amino-5-bromo-4-pentyl-1H-pyrimidin-6-one
CID 136244580
2-Amino-6-ethyl-5-iodo-4(3H)-pyrimidinone
CID 135480616
2-Amino-5-bromo-6-propyl-4(3H)-pyrimidinone
CID 135480617
Acetamide, N-(6-acetyl-5-bromo-4-oxo-1H-pyrimidin-2-yl)-
CID 135744005
5-bromo-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one
CID 135991250
2,5-dibromo-4-tert-butyl-1H-pyrimidin-6-one
CID 136078206
5-bromo-4-ethyl-1H-pyrimidin-6-one;hydrobromide
CID 141528281
6-bromo-7-ethyl-2,3-dimethyl-1H-imidazo[1,2-a]pyrimidin-5-one
CID 176873500
6-Acetyl-2-amino-5-bromopyrimidin-4(1h)-one
CID 135408517
N-(5-bromo-4-hydroxy-6-methyl-2-pyrimidinyl)acetamide
CID 135794131

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-bromo-4-ethyl-1H-pyrimidin-6-one (CID 135480615) is 2-amino-5-bromo-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-bromo-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-bromo-4-ethyl-1H-pyrimidin-6-one is CCc1nc(N)[nH]c(=O)c1Br.
What is the InChIKey of 2-amino-5-bromo-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is QGEPNHPGBOCLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O/c1-2-3-4(7)5(11)10-6(8)9-3/h2H2,1H3,(H3,8,9,10,11).
What are the key properties of 2-amino-5-bromo-4-ethyl-1H-pyrimidin-6-one?
2-amino-5-bromo-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 218.05 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135480615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).