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

C10H12Br2N6O2 — CID 139062205

IUPAC2-amino-5-bromo-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1Br.Cc1nc(N)[nH]c(=O)c1Br
InChIInChI=1S/2C5H6BrN3O/c2*1-2-3(6)4(10)9-5(7)8-2/h2*1H3,(H3,7,8,9,10)
InChIKeyLKTVGDGSJZRCPQ-UHFFFAOYSA-N
MW408.05 g/mol
LogP0.85
Rot. Bonds

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

2-amino-5-bromo-4-methyl-1H-pyrimidin-6-one (PubChem CID 139062205) has the molecular formula C10H12Br2N6O2 and a molecular weight of 408.05 g/mol. Its IUPAC name is 2-amino-5-bromo-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-bromo-4-methyl-1H-pyrimidin-6-one
PubChem CID139062205
Molecular FormulaC10H12Br2N6O2
Molecular Weight408.05 g/mol
Exact Mass405.94
IUPAC Name2-amino-5-bromo-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1Br.Cc1nc(N)[nH]c(=O)c1Br
InChIInChI=1S/2C5H6BrN3O/c2*1-2-3(6)4(10)9-5(7)8-2/h2*1H3,(H3,7,8,9,10)
InChIKeyLKTVGDGSJZRCPQ-UHFFFAOYSA-N
XLogP0.85
TPSA143.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.05
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-5-bromo-6-methyl-4-pyrimidinol
CID 135415622
N-(5-bromo-4-hydroxy-6-methyl-2-pyrimidinyl)acetamide
CID 135794131
2-amino-5-bromo-4-(bromomethyl)-1H-pyrimidin-6-one
CID 136935024
2,5-dibromo-4-methyl-1H-pyrimidin-6-one
CID 137000652

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-bromo-4-methyl-1H-pyrimidin-6-one (CID 139062205) is 2-amino-5-bromo-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-bromo-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-bromo-4-methyl-1H-pyrimidin-6-one is Cc1nc(N)[nH]c(=O)c1Br.Cc1nc(N)[nH]c(=O)c1Br.
What is the InChIKey of 2-amino-5-bromo-4-methyl-1H-pyrimidin-6-one?
The InChIKey is LKTVGDGSJZRCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H6BrN3O/c2*1-2-3(6)4(10)9-5(7)8-2/h2*1H3,(H3,7,8,9,10).
What are the key properties of 2-amino-5-bromo-4-methyl-1H-pyrimidin-6-one?
2-amino-5-bromo-4-methyl-1H-pyrimidin-6-one has a molecular weight of 408.05 g/mol, XLogP of 0.85, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 139062205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).