[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea

C10H13N3O4 — CID 5092533

IUPAC[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
SMILESCOc1cc(O)c(C=NNC(N)=O)c(OC)c1
InChIInChI=1S/C10H13N3O4/c1-16-6-3-8(14)7(9(4-6)17-2)5-12-13-10(11)15/h3-5,14H,1-2H3,(H3,11,13,15)
InChIKeyVTGGOQXLARXFKH-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.41
Rot. Bonds4

About [(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea

[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea (PubChem CID 5092533) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is [(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
PubChem CID5092533
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
SMILESCOc1cc(O)c(C=NNC(N)=O)c(OC)c1
InChIInChI=1S/C10H13N3O4/c1-16-6-3-8(14)7(9(4-6)17-2)5-12-13-10(11)15/h3-5,14H,1-2H3,(H3,11,13,15)
InChIKeyVTGGOQXLARXFKH-UHFFFAOYSA-N
XLogP0.41
TPSA106.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
CID 135679545
[(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea
CID 136717021
N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide
CID 135615813
2,6-difluoro-N-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide
CID 135455777
3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol
CID 4137951
methyl 2-[(carbamothioylhydrazinylidene)methyl]-3,5-dimethoxybenzoate
CID 168534711
3-hydroxy-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]benzamide
CID 6911487
5-chloro-2-hydroxy-N-[(Z)-(2,4,6-trimethoxyphenyl)methylideneamino]benzamide
CID 9297823
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]urea
CID 168532816
[(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea
CID 124643941
2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol
CID 136859318

Frequently Asked Questions

What is the IUPAC name of [(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea?
The IUPAC name of [(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea (CID 5092533) is [(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea?
The canonical SMILES for [(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea is COc1cc(O)c(C=NNC(N)=O)c(OC)c1.
What is the InChIKey of [(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea?
The InChIKey is VTGGOQXLARXFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-16-6-3-8(14)7(9(4-6)17-2)5-12-13-10(11)15/h3-5,14H,1-2H3,(H3,11,13,15).
What are the key properties of [(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea?
[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea has a molecular weight of 239.23 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 5092533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).