2-imino-1-methylimidazolidin-4-one;2-methylguanidine

C6H14N6O — CID 174723899

IUPAC2-imino-1-methylimidazolidin-4-one;2-methylguanidine
SMILESCN=C(N)N.[H]/N=C1/NC(=O)CN1C
InChIInChI=1S/C4H7N3O.C2H7N3/c1-7-2-3(8)6-4(7)5;1-5-2(3)4/h2H2,1H3,(H2,5,6,8);1H3,(H4,3,4,5)
InChIKeyFVTIXIKGOWGQJO-UHFFFAOYSA-N
MW186.22 g/mol
LogP-2.13
Rot. Bonds

About 2-imino-1-methylimidazolidin-4-one;2-methylguanidine

2-imino-1-methylimidazolidin-4-one;2-methylguanidine (PubChem CID 174723899) has the molecular formula C6H14N6O and a molecular weight of 186.22 g/mol. Its IUPAC name is 2-imino-1-methylimidazolidin-4-one;2-methylguanidine.

Molecular Properties

Compound Name2-imino-1-methylimidazolidin-4-one;2-methylguanidine
PubChem CID174723899
Molecular FormulaC6H14N6O
Molecular Weight186.22 g/mol
Exact Mass186.12
IUPAC Name2-imino-1-methylimidazolidin-4-one;2-methylguanidine
SMILESCN=C(N)N.[H]/N=C1/NC(=O)CN1C
InChIInChI=1S/C4H7N3O.C2H7N3/c1-7-2-3(8)6-4(7)5;1-5-2(3)4/h2H2,1H3,(H2,5,6,8);1H3,(H4,3,4,5)
InChIKeyFVTIXIKGOWGQJO-UHFFFAOYSA-N
XLogP-2.13
TPSA120.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 5-2.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-1-methylimidazolidin-4-one;2-methylguanidine?
The IUPAC name of 2-imino-1-methylimidazolidin-4-one;2-methylguanidine (CID 174723899) is 2-imino-1-methylimidazolidin-4-one;2-methylguanidine.
What is the SMILES notation for 2-imino-1-methylimidazolidin-4-one;2-methylguanidine?
The canonical SMILES for 2-imino-1-methylimidazolidin-4-one;2-methylguanidine is CN=C(N)N.[H]/N=C1/NC(=O)CN1C.
What is the InChIKey of 2-imino-1-methylimidazolidin-4-one;2-methylguanidine?
The InChIKey is FVTIXIKGOWGQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.C2H7N3/c1-7-2-3(8)6-4(7)5;1-5-2(3)4/h2H2,1H3,(H2,5,6,8);1H3,(H4,3,4,5).
What are the key properties of 2-imino-1-methylimidazolidin-4-one;2-methylguanidine?
2-imino-1-methylimidazolidin-4-one;2-methylguanidine has a molecular weight of 186.22 g/mol, XLogP of -2.13, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-methylimidazolidin-4-one;2-methylguanidine is sourced from PubChem (CID 174723899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).