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

C5H6BrN3O — CID 135415622

IUPAC2-amino-5-bromo-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1Br
InChIInChI=1S/C5H6BrN3O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10)
InChIKeyADLWOFHKMXUDKF-UHFFFAOYSA-N
MW204.03 g/mol
LogP0.42
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 135415622) has the molecular formula C5H6BrN3O and a molecular weight of 204.03 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 CID135415622
Molecular FormulaC5H6BrN3O
Molecular Weight204.03 g/mol
Exact Mass202.97
IUPAC Name2-amino-5-bromo-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1Br
InChIInChI=1S/C5H6BrN3O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10)
InChIKeyADLWOFHKMXUDKF-UHFFFAOYSA-N
XLogP0.42
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.03
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-6-methylpyrimidin-4-ol
CID 135460916
2-amino-5-bromo-6-ethyl-1H-pyrimidin-4-one
CID 135480615
2-Amino-5-fluoro-6-methylpyrimidin-4(1h)-one
CID 135455309
2-Amino-5-bromo-6-propyl-4(3H)-pyrimidinone
CID 135480617
2-amino-5-bromo-6-methylpyrimidin-4(3H)-one-2-amino-5-bromo-6-methylpyrimidin-4(1H)-one (1/1)
CID 139062205
2-amino-5-bromo-4-(difluoromethyl)-1H-pyrimidin-6-one
CID 136601925
2-Amino-5-bromo-6-methyl-4-oxopyrimidine-1-carbaldehyde
CID 88845179
5-bromo-2-chloro-6-methyl-4(3H)-Pyrimidinone
CID 135409924
5-Bromo-4-hydroxy-2-methoxy-6-methylpyrimidine
CID 135803830
5-bromo-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one
CID 135991250
6-Acetyl-2-amino-5-bromopyrimidin-4(1h)-one
CID 135408517
5-bromo-2-hydrazinyl-4-methyl-1H-pyrimidin-6-one
CID 135571656

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 135415622) 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.
What is the InChIKey of 2-amino-5-bromo-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ADLWOFHKMXUDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(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 204.03 g/mol, XLogP of 0.42, 0 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-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135415622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).