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

C6H12N4O2 — CID 45038142

IUPAC6-amino-1-methyl-5-(methylamino)-1,3-diazinane-2,4-dione
SMILESCNC1C(=O)NC(=O)N(C)C1N
InChIInChI=1S/C6H12N4O2/c1-8-3-4(7)10(2)6(12)9-5(3)11/h3-4,8H,7H2,1-2H3,(H,9,11,12)
InChIKeySIYXRVXURMPMCM-UHFFFAOYSA-N
MW172.19 g/mol
LogP-1.96
Rot. Bonds1

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

6-amino-1-methyl-5-(methylamino)-1,3-diazinane-2,4-dione (PubChem CID 45038142) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is 6-amino-1-methyl-5-(methylamino)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-(methylamino)-1,3-diazinane-2,4-dione
PubChem CID45038142
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name6-amino-1-methyl-5-(methylamino)-1,3-diazinane-2,4-dione
SMILESCNC1C(=O)NC(=O)N(C)C1N
InChIInChI=1S/C6H12N4O2/c1-8-3-4(7)10(2)6(12)9-5(3)11/h3-4,8H,7H2,1-2H3,(H,9,11,12)
InChIKeySIYXRVXURMPMCM-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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-(methylamino)-1,3-diazinane-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-(methylamino)-1,3-diazinane-2,4-dione (CID 45038142) is 6-amino-1-methyl-5-(methylamino)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-(methylamino)-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-(methylamino)-1,3-diazinane-2,4-dione is CNC1C(=O)NC(=O)N(C)C1N.
What is the InChIKey of 6-amino-1-methyl-5-(methylamino)-1,3-diazinane-2,4-dione?
The InChIKey is SIYXRVXURMPMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-8-3-4(7)10(2)6(12)9-5(3)11/h3-4,8H,7H2,1-2H3,(H,9,11,12).
What are the key properties of 6-amino-1-methyl-5-(methylamino)-1,3-diazinane-2,4-dione?
6-amino-1-methyl-5-(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 6-amino-1-methyl-5-(methylamino)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 45038142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).