2-amino-6-methyl-3-(oxiran-2-ylmethyl)pyrimidin-4-one

C8H11N3O2 — CID 4551795

IUPAC2-amino-6-methyl-3-(oxiran-2-ylmethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC2CO2)c(N)n1
InChIInChI=1S/C8H11N3O2/c1-5-2-7(12)11(8(9)10-5)3-6-4-13-6/h2,6H,3-4H2,1H3,(H2,9,10)
InChIKeyFPYDCZPQPKRHLO-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.47
Rot. Bonds2

About 2-amino-6-methyl-3-(oxiran-2-ylmethyl)pyrimidin-4-one

2-amino-6-methyl-3-(oxiran-2-ylmethyl)pyrimidin-4-one (PubChem CID 4551795) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-amino-6-methyl-3-(oxiran-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-methyl-3-(oxiran-2-ylmethyl)pyrimidin-4-one
PubChem CID4551795
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-amino-6-methyl-3-(oxiran-2-ylmethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC2CO2)c(N)n1
InChIInChI=1S/C8H11N3O2/c1-5-2-7(12)11(8(9)10-5)3-6-4-13-6/h2,6H,3-4H2,1H3,(H2,9,10)
InChIKeyFPYDCZPQPKRHLO-UHFFFAOYSA-N
XLogP-0.47
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-3-(oxiran-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 2-amino-6-methyl-3-(oxiran-2-ylmethyl)pyrimidin-4-one (CID 4551795) is 2-amino-6-methyl-3-(oxiran-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-methyl-3-(oxiran-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 2-amino-6-methyl-3-(oxiran-2-ylmethyl)pyrimidin-4-one is Cc1cc(=O)n(CC2CO2)c(N)n1.
What is the InChIKey of 2-amino-6-methyl-3-(oxiran-2-ylmethyl)pyrimidin-4-one?
The InChIKey is FPYDCZPQPKRHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-2-7(12)11(8(9)10-5)3-6-4-13-6/h2,6H,3-4H2,1H3,(H2,9,10).
What are the key properties of 2-amino-6-methyl-3-(oxiran-2-ylmethyl)pyrimidin-4-one?
2-amino-6-methyl-3-(oxiran-2-ylmethyl)pyrimidin-4-one has a molecular weight of 181.19 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-3-(oxiran-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 4551795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).