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

C7H13N3O — CID 167622849

IUPAC1,3-dimethyl-2-methylimino-1,3-diazinan-4-one
SMILESC/N=C1\N(C)CCC(=O)N1C
InChIInChI=1S/C7H13N3O/c1-8-7-9(2)5-4-6(11)10(7)3/h4-5H2,1-3H3/b8-7+
InChIKeySTFZDTCJTHOZTM-BQYQJAHWSA-N
MW155.20 g/mol
LogP-0.23
Rot. Bonds

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

1,3-dimethyl-2-methylimino-1,3-diazinan-4-one (PubChem CID 167622849) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1,3-dimethyl-2-methylimino-1,3-diazinan-4-one.

Molecular Properties

Compound Name1,3-dimethyl-2-methylimino-1,3-diazinan-4-one
PubChem CID167622849
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1,3-dimethyl-2-methylimino-1,3-diazinan-4-one
SMILESC/N=C1\N(C)CCC(=O)N1C
InChIInChI=1S/C7H13N3O/c1-8-7-9(2)5-4-6(11)10(7)3/h4-5H2,1-3H3/b8-7+
InChIKeySTFZDTCJTHOZTM-BQYQJAHWSA-N
XLogP-0.23
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-Methyl-2,3,7,8-tetrahydroimidazo(1,2-A)pyrimidin-5(6H)-one hydriodide
CID 13492731
Pyrimidine, 3,4,5,6-tetrahydro-3-methyl-2-methylamino-4-oxo-
CID 137198303
2-Amino-3-methyl-5,6-dihydropyrimidin-4(3h)-one
CID 54484269
8-Methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one
CID 4191461
1,3-Dimethyl-1,3-diazinan-4-one
CID 22323482
1-(2,3,4,6,7,8-Hexahydropyrimido[1,2-a]pyrimidin-1-yl)ethanone
CID 67881854
(1,3-Dimethyl-4,6-dioxo-1,3-diazinan-2-ylidene)cyanamide
CID 88488019
2-Methylimino-1,3-diazinan-4-one
CID 135763254
1-methyl-3,4,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-6-one
CID 153811580
1-Ethyl-2-imino-3-methyl-1,3-diazinan-4-one
CID 161779347
1,3-Dimethyl-2-methylimino-1,3-diazinan-4-one;methane
CID 167622848
2-(dimethylamino)-4,5-dihydro-1H-pyrimidin-6-one
CID 13063785

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-methylimino-1,3-diazinan-4-one?
The IUPAC name of 1,3-dimethyl-2-methylimino-1,3-diazinan-4-one (CID 167622849) is 1,3-dimethyl-2-methylimino-1,3-diazinan-4-one.
What is the SMILES notation for 1,3-dimethyl-2-methylimino-1,3-diazinan-4-one?
The canonical SMILES for 1,3-dimethyl-2-methylimino-1,3-diazinan-4-one is C/N=C1\N(C)CCC(=O)N1C.
What is the InChIKey of 1,3-dimethyl-2-methylimino-1,3-diazinan-4-one?
The InChIKey is STFZDTCJTHOZTM-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H13N3O/c1-8-7-9(2)5-4-6(11)10(7)3/h4-5H2,1-3H3/b8-7+.
What are the key properties of 1,3-dimethyl-2-methylimino-1,3-diazinan-4-one?
1,3-dimethyl-2-methylimino-1,3-diazinan-4-one has a molecular weight of 155.20 g/mol, XLogP of -0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-methylimino-1,3-diazinan-4-one is sourced from PubChem (CID 167622849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).