1-(diaminomethylidene)-2-[5-(dimethoxymethyl)-2-fluorophenyl]guanidine

C11H16FN5O2 — CID 168605851

IUPAC1-(diaminomethylidene)-2-[5-(dimethoxymethyl)-2-fluorophenyl]guanidine
SMILESCOC(OC)c1ccc(F)c(/N=C(\N)N=C(N)N)c1
InChIInChI=1S/C11H16FN5O2/c1-18-9(19-2)6-3-4-7(12)8(5-6)16-11(15)17-10(13)14/h3-5,9H,1-2H3,(H6,13,14,15,16,17)
InChIKeyWELGGOMIUGBRHX-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.34
Rot. Bonds4

About 1-(diaminomethylidene)-2-[5-(dimethoxymethyl)-2-fluorophenyl]guanidine

1-(diaminomethylidene)-2-[5-(dimethoxymethyl)-2-fluorophenyl]guanidine (PubChem CID 168605851) has the molecular formula C11H16FN5O2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[5-(dimethoxymethyl)-2-fluorophenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[5-(dimethoxymethyl)-2-fluorophenyl]guanidine
PubChem CID168605851
Molecular FormulaC11H16FN5O2
Molecular Weight269.28 g/mol
Exact Mass269.13
IUPAC Name1-(diaminomethylidene)-2-[5-(dimethoxymethyl)-2-fluorophenyl]guanidine
SMILESCOC(OC)c1ccc(F)c(/N=C(\N)N=C(N)N)c1
InChIInChI=1S/C11H16FN5O2/c1-18-9(19-2)6-3-4-7(12)8(5-6)16-11(15)17-10(13)14/h3-5,9H,1-2H3,(H6,13,14,15,16,17)
InChIKeyWELGGOMIUGBRHX-UHFFFAOYSA-N
XLogP0.34
TPSA121.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(diaminomethylidene)-2-(2,4,5-trifluorophenyl)guanidine
CID 168600515
1-(diaminomethylidene)-2-(2,3,4-trifluorophenyl)guanidine
CID 23086866
1-(diaminomethylidene)-2-(2-methyl-5-propan-2-yloxyphenyl)guanidine
CID 168605521
1-(diaminomethylidene)-2-[2-(difluoromethoxy)-5-fluorophenyl]guanidine
CID 168605210
2-[2-(4-chlorobenzoyl)-4,5-dimethoxyphenyl]-1-(diaminomethylidene)guanidine
CID 168601995
methyl N-cyano-N'-[4-(dimethoxymethyl)-2-fluorophenyl]carbamimidothioate
CID 169364758
2-[[amino-(diaminomethylideneamino)methylidene]amino]-5-chlorobenzoic acid
CID 168605986
1-(diaminomethylidene)-2-(2,6-difluoro-4-methylphenyl)guanidine
CID 21161438
methyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-fluorobenzoate
CID 168605167
1-(diaminomethylidene)-2-[4-(1-hydroxyethyl)phenyl]guanidine
CID 168601889
[5-(dimethoxymethyl)-2-fluorophenyl]-(3-fluorophenyl)methanone
CID 22260789
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
CID 7155

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[5-(dimethoxymethyl)-2-fluorophenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[5-(dimethoxymethyl)-2-fluorophenyl]guanidine (CID 168605851) is 1-(diaminomethylidene)-2-[5-(dimethoxymethyl)-2-fluorophenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[5-(dimethoxymethyl)-2-fluorophenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[5-(dimethoxymethyl)-2-fluorophenyl]guanidine is COC(OC)c1ccc(F)c(/N=C(\N)N=C(N)N)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-[5-(dimethoxymethyl)-2-fluorophenyl]guanidine?
The InChIKey is WELGGOMIUGBRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5O2/c1-18-9(19-2)6-3-4-7(12)8(5-6)16-11(15)17-10(13)14/h3-5,9H,1-2H3,(H6,13,14,15,16,17).
What are the key properties of 1-(diaminomethylidene)-2-[5-(dimethoxymethyl)-2-fluorophenyl]guanidine?
1-(diaminomethylidene)-2-[5-(dimethoxymethyl)-2-fluorophenyl]guanidine has a molecular weight of 269.28 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[5-(dimethoxymethyl)-2-fluorophenyl]guanidine is sourced from PubChem (CID 168605851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).