bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yl]diazene;dihydrochloride

C14H28Cl2N6 — CID 22033797

IUPACbis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yl]diazene;dihydrochloride
SMILESCC(C)(/N=N/C(C)(C)C1=NCCCN1)C1=NCCCN1.Cl.Cl
InChIInChI=1S/C14H26N6.2ClH/c1-13(2,11-15-7-5-8-16-11)19-20-14(3,4)12-17-9-6-10-18-12;;/h5-10H2,1-4H3,(H,15,16)(H,17,18);2*1H/b20-19+;;
InChIKeyNBXSIUSZCHNKCZ-LLIZZRELSA-N
MW351.33 g/mol
LogP2.62
Rot. Bonds4

About bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yl]diazene;dihydrochloride

bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yl]diazene;dihydrochloride (PubChem CID 22033797) has the molecular formula C14H28Cl2N6 and a molecular weight of 351.33 g/mol. Its IUPAC name is bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yl]diazene;dihydrochloride.

Molecular Properties

Compound Namebis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yl]diazene;dihydrochloride
PubChem CID22033797
Molecular FormulaC14H28Cl2N6
Molecular Weight351.33 g/mol
Exact Mass350.18
IUPAC Namebis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yl]diazene;dihydrochloride
SMILESCC(C)(/N=N/C(C)(C)C1=NCCCN1)C1=NCCCN1.Cl.Cl
InChIInChI=1S/C14H26N6.2ClH/c1-13(2,11-15-7-5-8-16-11)19-20-14(3,4)12-17-9-6-10-18-12;;/h5-10H2,1-4H3,(H,15,16)(H,17,18);2*1H/b20-19+;;
InChIKeyNBXSIUSZCHNKCZ-LLIZZRELSA-N
XLogP2.62
TPSA73.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yl]diazene;dihydrochloride?
The IUPAC name of bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yl]diazene;dihydrochloride (CID 22033797) is bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yl]diazene;dihydrochloride.
What is the SMILES notation for bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yl]diazene;dihydrochloride?
The canonical SMILES for bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yl]diazene;dihydrochloride is CC(C)(/N=N/C(C)(C)C1=NCCCN1)C1=NCCCN1.Cl.Cl.
What is the InChIKey of bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yl]diazene;dihydrochloride?
The InChIKey is NBXSIUSZCHNKCZ-LLIZZRELSA-N. The full InChI is InChI=1S/C14H26N6.2ClH/c1-13(2,11-15-7-5-8-16-11)19-20-14(3,4)12-17-9-6-10-18-12;;/h5-10H2,1-4H3,(H,15,16)(H,17,18);2*1H/b20-19+;;.
What are the key properties of bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yl]diazene;dihydrochloride?
bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yl]diazene;dihydrochloride has a molecular weight of 351.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yl]diazene;dihydrochloride is sourced from PubChem (CID 22033797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).