1-(diaminomethylidene)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]guanidine

C14H18N8 — CID 168602108

IUPAC1-(diaminomethylidene)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]guanidine
SMILESCc1cc(C)nc(Nc2ccc(/N=C(\N)N=C(N)N)cc2)n1
InChIInChI=1S/C14H18N8/c1-8-7-9(2)19-14(18-8)21-11-5-3-10(4-6-11)20-13(17)22-12(15)16/h3-7H,1-2H3,(H,18,19,21)(H6,15,16,17,20,22)
InChIKeyLEPJWZZJKRXUAO-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.06
Rot. Bonds3

About 1-(diaminomethylidene)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]guanidine

1-(diaminomethylidene)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]guanidine (PubChem CID 168602108) has the molecular formula C14H18N8 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]guanidine
PubChem CID168602108
Molecular FormulaC14H18N8
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name1-(diaminomethylidene)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]guanidine
SMILESCc1cc(C)nc(Nc2ccc(/N=C(\N)N=C(N)N)cc2)n1
InChIInChI=1S/C14H18N8/c1-8-7-9(2)19-14(18-8)21-11-5-3-10(4-6-11)20-13(17)22-12(15)16/h3-7H,1-2H3,(H,18,19,21)(H6,15,16,17,20,22)
InChIKeyLEPJWZZJKRXUAO-UHFFFAOYSA-N
XLogP1.06
TPSA140.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(diaminomethylidene)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]guanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]guanidine (CID 168602108) is 1-(diaminomethylidene)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]guanidine is Cc1cc(C)nc(Nc2ccc(/N=C(\N)N=C(N)N)cc2)n1.
What is the InChIKey of 1-(diaminomethylidene)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]guanidine?
The InChIKey is LEPJWZZJKRXUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8/c1-8-7-9(2)19-14(18-8)21-11-5-3-10(4-6-11)20-13(17)22-12(15)16/h3-7H,1-2H3,(H,18,19,21)(H6,15,16,17,20,22).
What are the key properties of 1-(diaminomethylidene)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]guanidine?
1-(diaminomethylidene)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]guanidine has a molecular weight of 298.35 g/mol, XLogP of 1.06, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]guanidine is sourced from PubChem (CID 168602108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).