4-amino-2,5-dimethyl-2,6-dihydro-1,3,5-oxadiazepin-7-one

C6H11N3O2 — CID 121408724

IUPAC4-amino-2,5-dimethyl-2,6-dihydro-1,3,5-oxadiazepin-7-one
SMILESCC1N=C(N)N(C)CC(=O)O1
InChIInChI=1S/C6H11N3O2/c1-4-8-6(7)9(2)3-5(10)11-4/h4H,3H2,1-2H3,(H2,7,8)
InChIKeyPPHFEMUDUUWIFW-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.86
Rot. Bonds

About 4-amino-2,5-dimethyl-2,6-dihydro-1,3,5-oxadiazepin-7-one

4-amino-2,5-dimethyl-2,6-dihydro-1,3,5-oxadiazepin-7-one (PubChem CID 121408724) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4-amino-2,5-dimethyl-2,6-dihydro-1,3,5-oxadiazepin-7-one.

Molecular Properties

Compound Name4-amino-2,5-dimethyl-2,6-dihydro-1,3,5-oxadiazepin-7-one
PubChem CID121408724
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name4-amino-2,5-dimethyl-2,6-dihydro-1,3,5-oxadiazepin-7-one
SMILESCC1N=C(N)N(C)CC(=O)O1
InChIInChI=1S/C6H11N3O2/c1-4-8-6(7)9(2)3-5(10)11-4/h4H,3H2,1-2H3,(H2,7,8)
InChIKeyPPHFEMUDUUWIFW-UHFFFAOYSA-N
XLogP-0.86
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-2,5-dimethyl-2,6-dihydro-1,3,5-oxadiazepin-7-one with MolForge

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

Launch Full Analysis

Related Compounds

N-(Aminoiminomethyl)-N-methylglycine ethyl ester
CID 10197817
Creatine ethyl ester HCl
CID 25114309
Creatine methyl ester
CID 11686929
Diaminomethylidene-(2-ethoxy-2-oxoethyl)-methylazanium
CID 51698389
2-[Carbamimidoyl(methyl)amino]ethyl acetate
CID 54024263
Acetyl 2-[carbamimidoyl(methyl)amino]acetate
CID 57484124
methyl 2-[(N'-methylcarbamimidoyl)amino]acetate
CID 62359153
ethyl 2-[(N'-methylcarbamimidoyl)amino]acetate
CID 62359531
Propyl 2-[carbamimidoyl(methyl)amino]acetate
CID 87620849
propyl 2-[(N'-methylcarbamimidoyl)amino]acetate
CID 87620850
Ethyl 2-(4-amino-2-oxo-1,3,5-triazin-1-yl)acetate
CID 118972479
4-amino-5,6-dihydro-2H-1,3,5-oxadiazepin-7-one
CID 121408736

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,5-dimethyl-2,6-dihydro-1,3,5-oxadiazepin-7-one?
The IUPAC name of 4-amino-2,5-dimethyl-2,6-dihydro-1,3,5-oxadiazepin-7-one (CID 121408724) is 4-amino-2,5-dimethyl-2,6-dihydro-1,3,5-oxadiazepin-7-one.
What is the SMILES notation for 4-amino-2,5-dimethyl-2,6-dihydro-1,3,5-oxadiazepin-7-one?
The canonical SMILES for 4-amino-2,5-dimethyl-2,6-dihydro-1,3,5-oxadiazepin-7-one is CC1N=C(N)N(C)CC(=O)O1.
What is the InChIKey of 4-amino-2,5-dimethyl-2,6-dihydro-1,3,5-oxadiazepin-7-one?
The InChIKey is PPHFEMUDUUWIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-4-8-6(7)9(2)3-5(10)11-4/h4H,3H2,1-2H3,(H2,7,8).
What are the key properties of 4-amino-2,5-dimethyl-2,6-dihydro-1,3,5-oxadiazepin-7-one?
4-amino-2,5-dimethyl-2,6-dihydro-1,3,5-oxadiazepin-7-one has a molecular weight of 157.17 g/mol, XLogP of -0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,5-dimethyl-2,6-dihydro-1,3,5-oxadiazepin-7-one is sourced from PubChem (CID 121408724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).