5-amino-1-methyl-6-(methylamino)-1,3-diazinane-2,4-dione

C6H12N4O2 — CID 73189472

IUPAC5-amino-1-methyl-6-(methylamino)-1,3-diazinane-2,4-dione
SMILESCNC1C(N)C(=O)NC(=O)N1C
InChIInChI=1S/C6H12N4O2/c1-8-4-3(7)5(11)9-6(12)10(4)2/h3-4,8H,7H2,1-2H3,(H,9,11,12)
InChIKeyJFUAQFSCFSVMBY-UHFFFAOYSA-N
MW172.19 g/mol
LogP-1.96
Rot. Bonds1

About 5-amino-1-methyl-6-(methylamino)-1,3-diazinane-2,4-dione

5-amino-1-methyl-6-(methylamino)-1,3-diazinane-2,4-dione (PubChem CID 73189472) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is 5-amino-1-methyl-6-(methylamino)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-amino-1-methyl-6-(methylamino)-1,3-diazinane-2,4-dione
PubChem CID73189472
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name5-amino-1-methyl-6-(methylamino)-1,3-diazinane-2,4-dione
SMILESCNC1C(N)C(=O)NC(=O)N1C
InChIInChI=1S/C6H12N4O2/c1-8-4-3(7)5(11)9-6(12)10(4)2/h3-4,8H,7H2,1-2H3,(H,9,11,12)
InChIKeyJFUAQFSCFSVMBY-UHFFFAOYSA-N
XLogP-1.96
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-1.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-amino-1-methyl-6-(methylamino)-1,3-diazinane-2,4-dione 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

Uramil
CID 67051
Hydrouracil, 1-methyl-
CID 237963
Dihydro-6-methyl-2,4(1H,3H)-pyrimidinedione
CID 97818
1-(Propan-2-yl)-1,3-diazinane-2,4-dione
CID 253730
1-sec-butyldihydropyrimidine-2,4(1H,3H)-dione
CID 4339588
6-Amino-5-(hydroxyamino)-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 3048063
(7S)-7-(aminomethyl)-5-methyl-1,3,5-triazepane-2,6-dione
CID 44417499
1,3,7-Trimethylhexahydro-1h-purine-2,6-dione
CID 220494
3-Methyldihydropyrimidine-2,4(1h,3h)-dione
CID 533549
1-(2-Aminoethyl)-1,3-diazinane-2,4-dione;hydrochloride
CID 76844936
6-Hydroxy-3-(propan-2-yl)pyrimidine-2,4(3H,5H)-dione
CID 231962
5-Amino-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 264936

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-6-(methylamino)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-amino-1-methyl-6-(methylamino)-1,3-diazinane-2,4-dione (CID 73189472) is 5-amino-1-methyl-6-(methylamino)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-amino-1-methyl-6-(methylamino)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-amino-1-methyl-6-(methylamino)-1,3-diazinane-2,4-dione is CNC1C(N)C(=O)NC(=O)N1C.
What is the InChIKey of 5-amino-1-methyl-6-(methylamino)-1,3-diazinane-2,4-dione?
The InChIKey is JFUAQFSCFSVMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-8-4-3(7)5(11)9-6(12)10(4)2/h3-4,8H,7H2,1-2H3,(H,9,11,12).
What are the key properties of 5-amino-1-methyl-6-(methylamino)-1,3-diazinane-2,4-dione?
5-amino-1-methyl-6-(methylamino)-1,3-diazinane-2,4-dione has a molecular weight of 172.19 g/mol, XLogP of -1.96, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-6-(methylamino)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 73189472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).