2-amino-3-(6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-7-yl)propanamide

C9H11N5O3 — CID 170166121

IUPAC2-amino-3-(6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-7-yl)propanamide
SMILESNC(=O)C(N)CC1Oc2ncncc2NC1=O
InChIInChI=1S/C9H11N5O3/c10-4(7(11)15)1-6-8(16)14-5-2-12-3-13-9(5)17-6/h2-4,6H,1,10H2,(H2,11,15)(H,14,16)
InChIKeyVGYMJBIDMOAQBC-UHFFFAOYSA-N
MW237.22 g/mol
LogP-1.62
Rot. Bonds3

About 2-amino-3-(6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-7-yl)propanamide

2-amino-3-(6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-7-yl)propanamide (PubChem CID 170166121) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-amino-3-(6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-7-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-7-yl)propanamide
PubChem CID170166121
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name2-amino-3-(6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-7-yl)propanamide
SMILESNC(=O)C(N)CC1Oc2ncncc2NC1=O
InChIInChI=1S/C9H11N5O3/c10-4(7(11)15)1-6-8(16)14-5-2-12-3-13-9(5)17-6/h2-4,6H,1,10H2,(H2,11,15)(H,14,16)
InChIKeyVGYMJBIDMOAQBC-UHFFFAOYSA-N
XLogP-1.62
TPSA133.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-3-(6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-7-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-7-yl)propanamide?
The IUPAC name of 2-amino-3-(6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-7-yl)propanamide (CID 170166121) is 2-amino-3-(6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-7-yl)propanamide.
What is the SMILES notation for 2-amino-3-(6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-7-yl)propanamide?
The canonical SMILES for 2-amino-3-(6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-7-yl)propanamide is NC(=O)C(N)CC1Oc2ncncc2NC1=O.
What is the InChIKey of 2-amino-3-(6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-7-yl)propanamide?
The InChIKey is VGYMJBIDMOAQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c10-4(7(11)15)1-6-8(16)14-5-2-12-3-13-9(5)17-6/h2-4,6H,1,10H2,(H2,11,15)(H,14,16).
What are the key properties of 2-amino-3-(6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-7-yl)propanamide?
2-amino-3-(6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-7-yl)propanamide has a molecular weight of 237.22 g/mol, XLogP of -1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-7-yl)propanamide is sourced from PubChem (CID 170166121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).