2-(1-aminopropan-2-yl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one

C11H15N3O2 — CID 116990467

IUPAC2-(1-aminopropan-2-yl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCC(CN)C1Oc2cccnc2N(C)C1=O
InChIInChI=1S/C11H15N3O2/c1-7(6-12)9-11(15)14(2)10-8(16-9)4-3-5-13-10/h3-5,7,9H,6,12H2,1-2H3
InChIKeyPWVPHPXWEDVGNY-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.40
Rot. Bonds2

About 2-(1-aminopropan-2-yl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one

2-(1-aminopropan-2-yl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 116990467) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID116990467
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(1-aminopropan-2-yl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCC(CN)C1Oc2cccnc2N(C)C1=O
InChIInChI=1S/C11H15N3O2/c1-7(6-12)9-11(15)14(2)10-8(16-9)4-3-5-13-10/h3-5,7,9H,6,12H2,1-2H3
InChIKeyPWVPHPXWEDVGNY-UHFFFAOYSA-N
XLogP0.40
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 2-(1-aminopropan-2-yl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one (CID 116990467) is 2-(1-aminopropan-2-yl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 2-(1-aminopropan-2-yl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one is CC(CN)C1Oc2cccnc2N(C)C1=O.
What is the InChIKey of 2-(1-aminopropan-2-yl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is PWVPHPXWEDVGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(6-12)9-11(15)14(2)10-8(16-9)4-3-5-13-10/h3-5,7,9H,6,12H2,1-2H3.
What are the key properties of 2-(1-aminopropan-2-yl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
2-(1-aminopropan-2-yl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 221.26 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 116990467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).