diaminomethylidene-[6-(diaminomethylideneamino)-4-methylpyrimidin-1-ium-2-yl]azanium dichloride

C7H14Cl2N8 — CID 135713877

IUPACdiaminomethylidene-[6-(diaminomethylideneamino)-4-methylpyrimidin-1-ium-2-yl]azanium dichloride
SMILESCc1cc(N=C(N)N)[nH+]c([NH+]=C(N)N)n1.[Cl-].[Cl-]
InChIInChI=1S/C7H12N8.2ClH/c1-3-2-4(13-5(8)9)14-7(12-3)15-6(10)11;;/h2H,1H3,(H8,8,9,10,11,12,13,14,15);2*1H
InChIKeyIDKRXTLHIUMZGS-UHFFFAOYSA-N
MW281.15 g/mol
LogP-9.90
Rot. Bonds2

About diaminomethylidene-[6-(diaminomethylideneamino)-4-methylpyrimidin-1-ium-2-yl]azanium dichloride

diaminomethylidene-[6-(diaminomethylideneamino)-4-methylpyrimidin-1-ium-2-yl]azanium dichloride (PubChem CID 135713877) has the molecular formula C7H14Cl2N8 and a molecular weight of 281.15 g/mol. Its IUPAC name is diaminomethylidene-[6-(diaminomethylideneamino)-4-methylpyrimidin-1-ium-2-yl]azanium dichloride.

Molecular Properties

Compound Namediaminomethylidene-[6-(diaminomethylideneamino)-4-methylpyrimidin-1-ium-2-yl]azanium dichloride
PubChem CID135713877
Molecular FormulaC7H14Cl2N8
Molecular Weight281.15 g/mol
Exact Mass280.07
IUPAC Namediaminomethylidene-[6-(diaminomethylideneamino)-4-methylpyrimidin-1-ium-2-yl]azanium dichloride
SMILESCc1cc(N=C(N)N)[nH+]c([NH+]=C(N)N)n1.[Cl-].[Cl-]
InChIInChI=1S/C7H12N8.2ClH/c1-3-2-4(13-5(8)9)14-7(12-3)15-6(10)11;;/h2H,1H3,(H8,8,9,10,11,12,13,14,15);2*1H
InChIKeyIDKRXTLHIUMZGS-UHFFFAOYSA-N
XLogP-9.90
TPSA157.44 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 5-9.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze diaminomethylidene-[6-(diaminomethylideneamino)-4-methylpyrimidin-1-ium-2-yl]azanium dichloride 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 diaminomethylidene-[6-(diaminomethylideneamino)-4-methylpyrimidin-1-ium-2-yl]azanium dichloride?
The IUPAC name of diaminomethylidene-[6-(diaminomethylideneamino)-4-methylpyrimidin-1-ium-2-yl]azanium dichloride (CID 135713877) is diaminomethylidene-[6-(diaminomethylideneamino)-4-methylpyrimidin-1-ium-2-yl]azanium dichloride.
What is the SMILES notation for diaminomethylidene-[6-(diaminomethylideneamino)-4-methylpyrimidin-1-ium-2-yl]azanium dichloride?
The canonical SMILES for diaminomethylidene-[6-(diaminomethylideneamino)-4-methylpyrimidin-1-ium-2-yl]azanium dichloride is Cc1cc(N=C(N)N)[nH+]c([NH+]=C(N)N)n1.[Cl-].[Cl-].
What is the InChIKey of diaminomethylidene-[6-(diaminomethylideneamino)-4-methylpyrimidin-1-ium-2-yl]azanium dichloride?
The InChIKey is IDKRXTLHIUMZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N8.2ClH/c1-3-2-4(13-5(8)9)14-7(12-3)15-6(10)11;;/h2H,1H3,(H8,8,9,10,11,12,13,14,15);2*1H.
What are the key properties of diaminomethylidene-[6-(diaminomethylideneamino)-4-methylpyrimidin-1-ium-2-yl]azanium dichloride?
diaminomethylidene-[6-(diaminomethylideneamino)-4-methylpyrimidin-1-ium-2-yl]azanium dichloride has a molecular weight of 281.15 g/mol, XLogP of -9.90, 2 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-[6-(diaminomethylideneamino)-4-methylpyrimidin-1-ium-2-yl]azanium dichloride is sourced from PubChem (CID 135713877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).