6-methyl-2-methylimino-1,3-diazinan-4-one

C6H11N3O — CID 137014942

IUPAC6-methyl-2-methylimino-1,3-diazinan-4-one
SMILESC/N=C1\NC(=O)CC(C)N1
InChIInChI=1S/C6H11N3O/c1-4-3-5(10)9-6(7-2)8-4/h4H,3H2,1-2H3,(H2,7,8,9,10)
InChIKeyMDBNVZWGHYZLSU-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.53
Rot. Bonds

About 6-methyl-2-methylimino-1,3-diazinan-4-one

6-methyl-2-methylimino-1,3-diazinan-4-one (PubChem CID 137014942) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 6-methyl-2-methylimino-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-methyl-2-methylimino-1,3-diazinan-4-one
PubChem CID137014942
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name6-methyl-2-methylimino-1,3-diazinan-4-one
SMILESC/N=C1\NC(=O)CC(C)N1
InChIInChI=1S/C6H11N3O/c1-4-3-5(10)9-6(7-2)8-4/h4H,3H2,1-2H3,(H2,7,8,9,10)
InChIKeyMDBNVZWGHYZLSU-UHFFFAOYSA-N
XLogP-0.53
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylimino-1,3-diazinan-4-one?
The IUPAC name of 6-methyl-2-methylimino-1,3-diazinan-4-one (CID 137014942) is 6-methyl-2-methylimino-1,3-diazinan-4-one.
What is the SMILES notation for 6-methyl-2-methylimino-1,3-diazinan-4-one?
The canonical SMILES for 6-methyl-2-methylimino-1,3-diazinan-4-one is C/N=C1\NC(=O)CC(C)N1.
What is the InChIKey of 6-methyl-2-methylimino-1,3-diazinan-4-one?
The InChIKey is MDBNVZWGHYZLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4-3-5(10)9-6(7-2)8-4/h4H,3H2,1-2H3,(H2,7,8,9,10).
What are the key properties of 6-methyl-2-methylimino-1,3-diazinan-4-one?
6-methyl-2-methylimino-1,3-diazinan-4-one has a molecular weight of 141.17 g/mol, XLogP of -0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylimino-1,3-diazinan-4-one is sourced from PubChem (CID 137014942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).