2-amino-5-bromo-3-methylpyrimidin-4-one

C5H6BrN3O — CID 170654512

IUPAC2-amino-5-bromo-3-methylpyrimidin-4-one
SMILESCn1c(N)ncc(Br)c1=O
InChIInChI=1S/C5H6BrN3O/c1-9-4(10)3(6)2-8-5(9)7/h2H,1H3,(H2,7,8)
InChIKeyZJZCZGIGNGZATK-UHFFFAOYSA-N
MW204.03 g/mol
LogP0.12
Rot. Bonds

About 2-amino-5-bromo-3-methylpyrimidin-4-one

2-amino-5-bromo-3-methylpyrimidin-4-one (PubChem CID 170654512) has the molecular formula C5H6BrN3O and a molecular weight of 204.03 g/mol. Its IUPAC name is 2-amino-5-bromo-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-bromo-3-methylpyrimidin-4-one
PubChem CID170654512
Molecular FormulaC5H6BrN3O
Molecular Weight204.03 g/mol
Exact Mass202.97
IUPAC Name2-amino-5-bromo-3-methylpyrimidin-4-one
SMILESCn1c(N)ncc(Br)c1=O
InChIInChI=1S/C5H6BrN3O/c1-9-4(10)3(6)2-8-5(9)7/h2H,1H3,(H2,7,8)
InChIKeyZJZCZGIGNGZATK-UHFFFAOYSA-N
XLogP0.12
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.03
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-3-methylpyrimidin-4-one?
The IUPAC name of 2-amino-5-bromo-3-methylpyrimidin-4-one (CID 170654512) is 2-amino-5-bromo-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-amino-5-bromo-3-methylpyrimidin-4-one?
The canonical SMILES for 2-amino-5-bromo-3-methylpyrimidin-4-one is Cn1c(N)ncc(Br)c1=O.
What is the InChIKey of 2-amino-5-bromo-3-methylpyrimidin-4-one?
The InChIKey is ZJZCZGIGNGZATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3O/c1-9-4(10)3(6)2-8-5(9)7/h2H,1H3,(H2,7,8).
What are the key properties of 2-amino-5-bromo-3-methylpyrimidin-4-one?
2-amino-5-bromo-3-methylpyrimidin-4-one has a molecular weight of 204.03 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-3-methylpyrimidin-4-one is sourced from PubChem (CID 170654512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).