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

C6H11N3O — CID 137198303

IUPAC3-methyl-2-methylimino-1,3-diazinan-4-one
SMILESC/N=C1\NCCC(=O)N1C
InChIInChI=1S/C6H11N3O/c1-7-6-8-4-3-5(10)9(6)2/h3-4H2,1-2H3,(H,7,8)
InChIKeyRPVPIHWYAHDAML-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.58
Rot. Bonds

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

3-methyl-2-methylimino-1,3-diazinan-4-one (PubChem CID 137198303) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-methyl-2-methylimino-1,3-diazinan-4-one.

Molecular Properties

Compound Name3-methyl-2-methylimino-1,3-diazinan-4-one
PubChem CID137198303
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name3-methyl-2-methylimino-1,3-diazinan-4-one
SMILESC/N=C1\NCCC(=O)N1C
InChIInChI=1S/C6H11N3O/c1-7-6-8-4-3-5(10)9(6)2/h3-4H2,1-2H3,(H,7,8)
InChIKeyRPVPIHWYAHDAML-UHFFFAOYSA-N
XLogP-0.58
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyrimidine, 2-acetamido-1,4,5,6-tetrahydro-
CID 55287090
4(1H)-Pyrimidinone, 2-amino-5,6-dihydro-1-methyl-
CID 137321859
2-Amino-3-methyl-5,6-dihydropyrimidin-4(3h)-one
CID 54484269
N-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)acetamide
CID 5153042
Imidazo(1,2-a)pyrimidin-7(1H)-one, 2,3,5,6-tetrahydro-
CID 152762
4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 13256629
3-Methyltetrahydropyrimidin-4(1H)-one
CID 45033304
1-Methyl-1,3-diazinan-4-one
CID 55286919
2-Methylimino-1,3-diazinan-4-one
CID 135763254
6-Methyl-2-methylimino-1,3-diazinan-4-one
CID 137014942
2-Amino-1-methyl-1,3-diazinan-4-one
CID 138601195
Ethane;3-methyl-1,3-diazinan-4-one
CID 143954567

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylimino-1,3-diazinan-4-one?
The IUPAC name of 3-methyl-2-methylimino-1,3-diazinan-4-one (CID 137198303) is 3-methyl-2-methylimino-1,3-diazinan-4-one.
What is the SMILES notation for 3-methyl-2-methylimino-1,3-diazinan-4-one?
The canonical SMILES for 3-methyl-2-methylimino-1,3-diazinan-4-one is C/N=C1\NCCC(=O)N1C.
What is the InChIKey of 3-methyl-2-methylimino-1,3-diazinan-4-one?
The InChIKey is RPVPIHWYAHDAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-7-6-8-4-3-5(10)9(6)2/h3-4H2,1-2H3,(H,7,8).
What are the key properties of 3-methyl-2-methylimino-1,3-diazinan-4-one?
3-methyl-2-methylimino-1,3-diazinan-4-one has a molecular weight of 141.17 g/mol, XLogP of -0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylimino-1,3-diazinan-4-one is sourced from PubChem (CID 137198303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).