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

C7H10BrN3O — CID 135480617

IUPAC2-amino-5-bromo-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(N)[nH]c(=O)c1Br
InChIInChI=1S/C7H10BrN3O/c1-2-3-4-5(8)6(12)11-7(9)10-4/h2-3H2,1H3,(H3,9,10,11,12)
InChIKeyAFVSHWFJRMGGKW-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.07
Rot. Bonds2

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

2-amino-5-bromo-4-propyl-1H-pyrimidin-6-one (PubChem CID 135480617) has the molecular formula C7H10BrN3O and a molecular weight of 232.08 g/mol. Its IUPAC name is 2-amino-5-bromo-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-bromo-4-propyl-1H-pyrimidin-6-one
PubChem CID135480617
Molecular FormulaC7H10BrN3O
Molecular Weight232.08 g/mol
Exact Mass231.00
IUPAC Name2-amino-5-bromo-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(N)[nH]c(=O)c1Br
InChIInChI=1S/C7H10BrN3O/c1-2-3-4-5(8)6(12)11-7(9)10-4/h2-3H2,1H3,(H3,9,10,11,12)
InChIKeyAFVSHWFJRMGGKW-UHFFFAOYSA-N
XLogP1.07
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.07
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-5-iodo-6-propyl-1H-pyrimidin-4-one
CID 135449728
2-amino-5-bromo-6-ethyl-1H-pyrimidin-4-one
CID 135480615
Acetamide, N-(6-acetyl-5-bromo-4-oxo-1H-pyrimidin-2-yl)-
CID 135744005
2,5-dibromo-4-tert-butyl-1H-pyrimidin-6-one
CID 136078206
5-Bromo-6-propyl-4(3H)-pyrimidinone
CID 136133810
6-Acetyl-2-amino-5-bromopyrimidin-4(1h)-one
CID 135408517
5-bromo-2-(diethylamino)-4-propyl-1H-pyrimidin-6-one
CID 136225168
2-amino-5-bromo-6-isopropylpyrimidin-4(3H)-one
CID 136225713
5-bromo-4-ethyl-2-(methylamino)-1H-pyrimidin-6-one
CID 136226004

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-bromo-4-propyl-1H-pyrimidin-6-one (CID 135480617) is 2-amino-5-bromo-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-bromo-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-bromo-4-propyl-1H-pyrimidin-6-one is CCCc1nc(N)[nH]c(=O)c1Br.
What is the InChIKey of 2-amino-5-bromo-4-propyl-1H-pyrimidin-6-one?
The InChIKey is AFVSHWFJRMGGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O/c1-2-3-4-5(8)6(12)11-7(9)10-4/h2-3H2,1H3,(H3,9,10,11,12).
What are the key properties of 2-amino-5-bromo-4-propyl-1H-pyrimidin-6-one?
2-amino-5-bromo-4-propyl-1H-pyrimidin-6-one has a molecular weight of 232.08 g/mol, XLogP of 1.07, 2 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-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135480617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).