1-(diaminomethylidene)-2-[4-(6-methyl-2-pyridinyl)phenyl]guanidine

C14H16N6 — CID 168602688

IUPAC1-(diaminomethylidene)-2-[4-(6-methyl-2-pyridinyl)phenyl]guanidine
SMILESCc1cccc(-c2ccc(/N=C(\N)N=C(N)N)cc2)n1
InChIInChI=1S/C14H16N6/c1-9-3-2-4-12(18-9)10-5-7-11(8-6-10)19-14(17)20-13(15)16/h2-8H,1H3,(H6,15,16,17,19,20)
InChIKeyPPXHOKVVDHAVOT-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.28
Rot. Bonds2

About 1-(diaminomethylidene)-2-[4-(6-methyl-2-pyridinyl)phenyl]guanidine

1-(diaminomethylidene)-2-[4-(6-methyl-2-pyridinyl)phenyl]guanidine (PubChem CID 168602688) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[4-(6-methyl-2-pyridinyl)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[4-(6-methyl-2-pyridinyl)phenyl]guanidine
PubChem CID168602688
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name1-(diaminomethylidene)-2-[4-(6-methyl-2-pyridinyl)phenyl]guanidine
SMILESCc1cccc(-c2ccc(/N=C(\N)N=C(N)N)cc2)n1
InChIInChI=1S/C14H16N6/c1-9-3-2-4-12(18-9)10-5-7-11(8-6-10)19-14(17)20-13(15)16/h2-8H,1H3,(H6,15,16,17,19,20)
InChIKeyPPXHOKVVDHAVOT-UHFFFAOYSA-N
XLogP1.28
TPSA115.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 1-(diaminomethylidene)-2-[4-(6-methyl-2-pyridinyl)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[4-(6-methyl-2-pyridinyl)phenyl]guanidine (CID 168602688) is 1-(diaminomethylidene)-2-[4-(6-methyl-2-pyridinyl)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[4-(6-methyl-2-pyridinyl)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[4-(6-methyl-2-pyridinyl)phenyl]guanidine is Cc1cccc(-c2ccc(/N=C(\N)N=C(N)N)cc2)n1.
What is the InChIKey of 1-(diaminomethylidene)-2-[4-(6-methyl-2-pyridinyl)phenyl]guanidine?
The InChIKey is PPXHOKVVDHAVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-9-3-2-4-12(18-9)10-5-7-11(8-6-10)19-14(17)20-13(15)16/h2-8H,1H3,(H6,15,16,17,19,20).
What are the key properties of 1-(diaminomethylidene)-2-[4-(6-methyl-2-pyridinyl)phenyl]guanidine?
1-(diaminomethylidene)-2-[4-(6-methyl-2-pyridinyl)phenyl]guanidine has a molecular weight of 268.32 g/mol, XLogP of 1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[4-(6-methyl-2-pyridinyl)phenyl]guanidine is sourced from PubChem (CID 168602688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).