[N'-(2-morpholin-4-ylethyl)carbamimidoyl]urea

C8H17N5O2 — CID 21414777

IUPAC[N'-(2-morpholin-4-ylethyl)carbamimidoyl]urea
SMILESNC(=O)N/C(N)=N/CCN1CCOCC1
InChIInChI=1S/C8H17N5O2/c9-7(12-8(10)14)11-1-2-13-3-5-15-6-4-13/h1-6H2,(H5,9,10,11,12,14)
InChIKeyBCRZKAOKIVAIKL-UHFFFAOYSA-N
MW215.26 g/mol
LogP-1.70
Rot. Bonds3

About [N'-(2-morpholin-4-ylethyl)carbamimidoyl]urea

[N'-(2-morpholin-4-ylethyl)carbamimidoyl]urea (PubChem CID 21414777) has the molecular formula C8H17N5O2 and a molecular weight of 215.26 g/mol. Its IUPAC name is [N'-(2-morpholin-4-ylethyl)carbamimidoyl]urea.

Molecular Properties

Compound Name[N'-(2-morpholin-4-ylethyl)carbamimidoyl]urea
PubChem CID21414777
Molecular FormulaC8H17N5O2
Molecular Weight215.26 g/mol
Exact Mass215.14
IUPAC Name[N'-(2-morpholin-4-ylethyl)carbamimidoyl]urea
SMILESNC(=O)N/C(N)=N/CCN1CCOCC1
InChIInChI=1S/C8H17N5O2/c9-7(12-8(10)14)11-1-2-13-3-5-15-6-4-13/h1-6H2,(H5,9,10,11,12,14)
InChIKeyBCRZKAOKIVAIKL-UHFFFAOYSA-N
XLogP-1.70
TPSA105.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 [N'-(2-morpholin-4-ylethyl)carbamimidoyl]urea?
The IUPAC name of [N'-(2-morpholin-4-ylethyl)carbamimidoyl]urea (CID 21414777) is [N'-(2-morpholin-4-ylethyl)carbamimidoyl]urea.
What is the SMILES notation for [N'-(2-morpholin-4-ylethyl)carbamimidoyl]urea?
The canonical SMILES for [N'-(2-morpholin-4-ylethyl)carbamimidoyl]urea is NC(=O)N/C(N)=N/CCN1CCOCC1.
What is the InChIKey of [N'-(2-morpholin-4-ylethyl)carbamimidoyl]urea?
The InChIKey is BCRZKAOKIVAIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O2/c9-7(12-8(10)14)11-1-2-13-3-5-15-6-4-13/h1-6H2,(H5,9,10,11,12,14).
What are the key properties of [N'-(2-morpholin-4-ylethyl)carbamimidoyl]urea?
[N'-(2-morpholin-4-ylethyl)carbamimidoyl]urea has a molecular weight of 215.26 g/mol, XLogP of -1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [N'-(2-morpholin-4-ylethyl)carbamimidoyl]urea is sourced from PubChem (CID 21414777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).