2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine

C12H12N6O — CID 168591058

IUPAC2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C12H12N6O/c13-11(14)18-17-8-9-2-4-10(5-3-9)19-12-15-6-1-7-16-12/h1-8H,(H4,13,14,18)
InChIKeyBUFQTTKKZPVABH-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.88
Rot. Bonds4

About 2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine

2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine (PubChem CID 168591058) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine
PubChem CID168591058
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C12H12N6O/c13-11(14)18-17-8-9-2-4-10(5-3-9)19-12-15-6-1-7-16-12/h1-8H,(H4,13,14,18)
InChIKeyBUFQTTKKZPVABH-UHFFFAOYSA-N
XLogP0.88
TPSA111.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide
CID 76873988
2-[[4-(difluoromethoxy)phenyl]methylideneamino]guanidine
CID 2341379
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl] benzoate
CID 45146424
2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine
CID 168591305
2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]propanoic acid
CID 168591032
2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880611
2-[(3-pyrazin-2-yloxyphenyl)methylideneamino]guanidine
CID 168591514
2-[[4-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methylideneamino]guanidine
CID 168590473
2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine
CID 168590998
2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride
CID 54609066
2-[[4-[(3-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590711

Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine (CID 168591058) is 2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine is NC(N)=NN=Cc1ccc(Oc2ncccn2)cc1.
What is the InChIKey of 2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine?
The InChIKey is BUFQTTKKZPVABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c13-11(14)18-17-8-9-2-4-10(5-3-9)19-12-15-6-1-7-16-12/h1-8H,(H4,13,14,18).
What are the key properties of 2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine?
2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine has a molecular weight of 256.27 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168591058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).