4-amino-6-(4-methylphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one

C14H14N4O2 — CID 71770666

IUPAC4-amino-6-(4-methylphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
SMILESCc1ccc(N2CCOc3ncnc(N)c3C2=O)cc1
InChIInChI=1S/C14H14N4O2/c1-9-2-4-10(5-3-9)18-6-7-20-13-11(14(18)19)12(15)16-8-17-13/h2-5,8H,6-7H2,1H3,(H2,15,16,17)
InChIKeyHQQSUDOXVLBEHH-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.41
Rot. Bonds1

About 4-amino-6-(4-methylphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one

4-amino-6-(4-methylphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one (PubChem CID 71770666) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-amino-6-(4-methylphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one.

Molecular Properties

Compound Name4-amino-6-(4-methylphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
PubChem CID71770666
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name4-amino-6-(4-methylphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
SMILESCc1ccc(N2CCOc3ncnc(N)c3C2=O)cc1
InChIInChI=1S/C14H14N4O2/c1-9-2-4-10(5-3-9)18-6-7-20-13-11(14(18)19)12(15)16-8-17-13/h2-5,8H,6-7H2,1H3,(H2,15,16,17)
InChIKeyHQQSUDOXVLBEHH-UHFFFAOYSA-N
XLogP1.41
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-6-(4-methylphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one 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 4-amino-6-(4-methylphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The IUPAC name of 4-amino-6-(4-methylphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one (CID 71770666) is 4-amino-6-(4-methylphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one.
What is the SMILES notation for 4-amino-6-(4-methylphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The canonical SMILES for 4-amino-6-(4-methylphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one is Cc1ccc(N2CCOc3ncnc(N)c3C2=O)cc1.
What is the InChIKey of 4-amino-6-(4-methylphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The InChIKey is HQQSUDOXVLBEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-2-4-10(5-3-9)18-6-7-20-13-11(14(18)19)12(15)16-8-17-13/h2-5,8H,6-7H2,1H3,(H2,15,16,17).
What are the key properties of 4-amino-6-(4-methylphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
4-amino-6-(4-methylphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one has a molecular weight of 270.29 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-methylphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one is sourced from PubChem (CID 71770666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).