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

C5H9N3O — CID 137321859

IUPAC2-imino-1-methyl-1,3-diazinan-4-one
SMILES[H]/N=C1\NC(=O)CCN1C
InChIInChI=1S/C5H9N3O/c1-8-3-2-4(9)7-5(8)6/h2-3H2,1H3,(H2,6,7,9)
InChIKeyYUAPKJLVUHDQIL-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.63
Rot. Bonds

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

2-imino-1-methyl-1,3-diazinan-4-one (PubChem CID 137321859) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2-imino-1-methyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-imino-1-methyl-1,3-diazinan-4-one
PubChem CID137321859
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2-imino-1-methyl-1,3-diazinan-4-one
SMILES[H]/N=C1\NC(=O)CCN1C
InChIInChI=1S/C5H9N3O/c1-8-3-2-4(9)7-5(8)6/h2-3H2,1H3,(H2,6,7,9)
InChIKeyYUAPKJLVUHDQIL-UHFFFAOYSA-N
XLogP-0.63
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyrimidine, 3,4,5,6-tetrahydro-3-methyl-2-methylamino-4-oxo-
CID 137198303
N-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)acetamide
CID 5153042
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
2-Amino-1-methyl-1,3-diazinan-4-one
CID 138601195
2-Imino-1-(3-methylbutan-2-yl)-1,3-diazinan-4-one
CID 139460254
1-Tert-butyl-2-imino-1,3-diazinan-4-one
CID 139460420
2-methylimino-5,6-dihydro-1H-pyrimidin-3-id-4-one;rhodium
CID 153391584
1-Ethyl-2-imino-3-methyl-1,3-diazinan-4-one
CID 161779347
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-2-one
CID 3823704
2-(dimethylamino)-4,5-dihydro-1H-pyrimidin-6-one
CID 13063785

Frequently Asked Questions

What is the IUPAC name of 2-imino-1-methyl-1,3-diazinan-4-one?
The IUPAC name of 2-imino-1-methyl-1,3-diazinan-4-one (CID 137321859) is 2-imino-1-methyl-1,3-diazinan-4-one.
What is the SMILES notation for 2-imino-1-methyl-1,3-diazinan-4-one?
The canonical SMILES for 2-imino-1-methyl-1,3-diazinan-4-one is [H]/N=C1\NC(=O)CCN1C.
What is the InChIKey of 2-imino-1-methyl-1,3-diazinan-4-one?
The InChIKey is YUAPKJLVUHDQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-8-3-2-4(9)7-5(8)6/h2-3H2,1H3,(H2,6,7,9).
What are the key properties of 2-imino-1-methyl-1,3-diazinan-4-one?
2-imino-1-methyl-1,3-diazinan-4-one has a molecular weight of 127.15 g/mol, XLogP of -0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-methyl-1,3-diazinan-4-one is sourced from PubChem (CID 137321859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).