4-amino-1-methylpyrimidin-2-one;hydrobromide

C5H8BrN3O — CID 91983314

IUPAC4-amino-1-methylpyrimidin-2-one;hydrobromide
SMILESBr.Cn1ccc(N)nc1=O
InChIInChI=1S/C5H7N3O.BrH/c1-8-3-2-4(6)7-5(8)9;/h2-3H,1H3,(H2,6,7,9);1H
InChIKeyNYZWFEFKXVSHNC-UHFFFAOYSA-N
MW206.04 g/mol
LogP-0.06
Rot. Bonds

About 4-amino-1-methylpyrimidin-2-one;hydrobromide

4-amino-1-methylpyrimidin-2-one;hydrobromide (PubChem CID 91983314) has the molecular formula C5H8BrN3O and a molecular weight of 206.04 g/mol. Its IUPAC name is 4-amino-1-methylpyrimidin-2-one;hydrobromide.

Molecular Properties

Compound Name4-amino-1-methylpyrimidin-2-one;hydrobromide
PubChem CID91983314
Molecular FormulaC5H8BrN3O
Molecular Weight206.04 g/mol
Exact Mass204.99
IUPAC Name4-amino-1-methylpyrimidin-2-one;hydrobromide
SMILESBr.Cn1ccc(N)nc1=O
InChIInChI=1S/C5H7N3O.BrH/c1-8-3-2-4(6)7-5(8)9;/h2-3H,1H3,(H2,6,7,9);1H
InChIKeyNYZWFEFKXVSHNC-UHFFFAOYSA-N
XLogP-0.06
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-methyl-4-(methylamino)pyrimidin-2-one;hydrochloride
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CID 14216904
2-(4-amino-2-oxopyrimidin-1-yl)guanidine
CID 57450610
4-amino-1-methylpyrimidin-2-one;2-[[hydroxy(2-methoxybutoxy)phosphoryl]amino]propanoic acid
CID 143708484
4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpyrimidin-2-one;hydrobromide?
The IUPAC name of 4-amino-1-methylpyrimidin-2-one;hydrobromide (CID 91983314) is 4-amino-1-methylpyrimidin-2-one;hydrobromide.
What is the SMILES notation for 4-amino-1-methylpyrimidin-2-one;hydrobromide?
The canonical SMILES for 4-amino-1-methylpyrimidin-2-one;hydrobromide is Br.Cn1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-methylpyrimidin-2-one;hydrobromide?
The InChIKey is NYZWFEFKXVSHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.BrH/c1-8-3-2-4(6)7-5(8)9;/h2-3H,1H3,(H2,6,7,9);1H.
What are the key properties of 4-amino-1-methylpyrimidin-2-one;hydrobromide?
4-amino-1-methylpyrimidin-2-one;hydrobromide has a molecular weight of 206.04 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpyrimidin-2-one;hydrobromide is sourced from PubChem (CID 91983314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).