4-amino-2-prop-2-enyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one

C9H10N4O2 — CID 67939026

IUPAC4-amino-2-prop-2-enyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
SMILESC=CCc1nc(N)c2c(n1)NC(=O)CO2
InChIInChI=1S/C9H10N4O2/c1-2-3-5-11-8(10)7-9(12-5)13-6(14)4-15-7/h2H,1,3-4H2,(H3,10,11,12,13,14)
InChIKeyONMGEVXOJMPHFM-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.12
Rot. Bonds2

About 4-amino-2-prop-2-enyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one

4-amino-2-prop-2-enyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one (PubChem CID 67939026) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-amino-2-prop-2-enyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one.

Molecular Properties

Compound Name4-amino-2-prop-2-enyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
PubChem CID67939026
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name4-amino-2-prop-2-enyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
SMILESC=CCc1nc(N)c2c(n1)NC(=O)CO2
InChIInChI=1S/C9H10N4O2/c1-2-3-5-11-8(10)7-9(12-5)13-6(14)4-15-7/h2H,1,3-4H2,(H3,10,11,12,13,14)
InChIKeyONMGEVXOJMPHFM-UHFFFAOYSA-N
XLogP0.12
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-prop-2-enyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The IUPAC name of 4-amino-2-prop-2-enyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one (CID 67939026) is 4-amino-2-prop-2-enyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one.
What is the SMILES notation for 4-amino-2-prop-2-enyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The canonical SMILES for 4-amino-2-prop-2-enyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one is C=CCc1nc(N)c2c(n1)NC(=O)CO2.
What is the InChIKey of 4-amino-2-prop-2-enyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The InChIKey is ONMGEVXOJMPHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-2-3-5-11-8(10)7-9(12-5)13-6(14)4-15-7/h2H,1,3-4H2,(H3,10,11,12,13,14).
What are the key properties of 4-amino-2-prop-2-enyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
4-amino-2-prop-2-enyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one has a molecular weight of 206.20 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-prop-2-enyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one is sourced from PubChem (CID 67939026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).