(Z)-(1-methyl-4-oxo-1,3-diazinan-2-ylidene)urea

C6H10N4O2 — CID 135748539

IUPAC(Z)-(1-methyl-4-oxo-1,3-diazinan-2-ylidene)urea
SMILESCN1CCC(=O)N/C1=N/C(N)=O
InChIInChI=1S/C6H10N4O2/c1-10-3-2-4(11)8-6(10)9-5(7)12/h2-3H2,1H3,(H3,7,8,9,11,12)
InChIKeyKDQXJDIZOJMMKY-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.13
Rot. Bonds

About (Z)-(1-methyl-4-oxo-1,3-diazinan-2-ylidene)urea

(Z)-(1-methyl-4-oxo-1,3-diazinan-2-ylidene)urea (PubChem CID 135748539) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is (Z)-(1-methyl-4-oxo-1,3-diazinan-2-ylidene)urea.

Molecular Properties

Compound Name(Z)-(1-methyl-4-oxo-1,3-diazinan-2-ylidene)urea
PubChem CID135748539
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name(Z)-(1-methyl-4-oxo-1,3-diazinan-2-ylidene)urea
SMILESCN1CCC(=O)N/C1=N/C(N)=O
InChIInChI=1S/C6H10N4O2/c1-10-3-2-4(11)8-6(10)9-5(7)12/h2-3H2,1H3,(H3,7,8,9,11,12)
InChIKeyKDQXJDIZOJMMKY-UHFFFAOYSA-N
XLogP-1.13
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.13
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 (Z)-(1-methyl-4-oxo-1,3-diazinan-2-ylidene)urea?
The IUPAC name of (Z)-(1-methyl-4-oxo-1,3-diazinan-2-ylidene)urea (CID 135748539) is (Z)-(1-methyl-4-oxo-1,3-diazinan-2-ylidene)urea.
What is the SMILES notation for (Z)-(1-methyl-4-oxo-1,3-diazinan-2-ylidene)urea?
The canonical SMILES for (Z)-(1-methyl-4-oxo-1,3-diazinan-2-ylidene)urea is CN1CCC(=O)N/C1=N/C(N)=O.
What is the InChIKey of (Z)-(1-methyl-4-oxo-1,3-diazinan-2-ylidene)urea?
The InChIKey is KDQXJDIZOJMMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-10-3-2-4(11)8-6(10)9-5(7)12/h2-3H2,1H3,(H3,7,8,9,11,12).
What are the key properties of (Z)-(1-methyl-4-oxo-1,3-diazinan-2-ylidene)urea?
(Z)-(1-methyl-4-oxo-1,3-diazinan-2-ylidene)urea has a molecular weight of 170.17 g/mol, XLogP of -1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(1-methyl-4-oxo-1,3-diazinan-2-ylidene)urea is sourced from PubChem (CID 135748539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).