2-[2-[2-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yldiazenyl]propan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol;dihydrochloride

C14H28Cl2N6O2 — CID 22242523

IUPAC2-[2-[2-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yldiazenyl]propan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol;dihydrochloride
SMILESCC(C)(/N=N/C(C)(C)C1=NCC(O)CN1)C1=NCC(O)CN1.Cl.Cl
InChIInChI=1S/C14H26N6O2.2ClH/c1-13(2,11-15-5-9(21)6-16-11)19-20-14(3,4)12-17-7-10(22)8-18-12;;/h9-10,21-22H,5-8H2,1-4H3,(H,15,16)(H,17,18);2*1H/b20-19+;;
InChIKeyQRGNGVOBMOHGED-LLIZZRELSA-N
MW383.32 g/mol
LogP0.56
Rot. Bonds4

About 2-[2-[2-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yldiazenyl]propan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol;dihydrochloride

2-[2-[2-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yldiazenyl]propan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol;dihydrochloride (PubChem CID 22242523) has the molecular formula C14H28Cl2N6O2 and a molecular weight of 383.32 g/mol. Its IUPAC name is 2-[2-[2-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yldiazenyl]propan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol;dihydrochloride.

Molecular Properties

Compound Name2-[2-[2-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yldiazenyl]propan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol;dihydrochloride
PubChem CID22242523
Molecular FormulaC14H28Cl2N6O2
Molecular Weight383.32 g/mol
Exact Mass382.17
IUPAC Name2-[2-[2-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yldiazenyl]propan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol;dihydrochloride
SMILESCC(C)(/N=N/C(C)(C)C1=NCC(O)CN1)C1=NCC(O)CN1.Cl.Cl
InChIInChI=1S/C14H26N6O2.2ClH/c1-13(2,11-15-5-9(21)6-16-11)19-20-14(3,4)12-17-7-10(22)8-18-12;;/h9-10,21-22H,5-8H2,1-4H3,(H,15,16)(H,17,18);2*1H/b20-19+;;
InChIKeyQRGNGVOBMOHGED-LLIZZRELSA-N
XLogP0.56
TPSA113.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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 2-[2-[2-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yldiazenyl]propan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol;dihydrochloride?
The IUPAC name of 2-[2-[2-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yldiazenyl]propan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol;dihydrochloride (CID 22242523) is 2-[2-[2-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yldiazenyl]propan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol;dihydrochloride.
What is the SMILES notation for 2-[2-[2-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yldiazenyl]propan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol;dihydrochloride?
The canonical SMILES for 2-[2-[2-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yldiazenyl]propan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol;dihydrochloride is CC(C)(/N=N/C(C)(C)C1=NCC(O)CN1)C1=NCC(O)CN1.Cl.Cl.
What is the InChIKey of 2-[2-[2-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yldiazenyl]propan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol;dihydrochloride?
The InChIKey is QRGNGVOBMOHGED-LLIZZRELSA-N. The full InChI is InChI=1S/C14H26N6O2.2ClH/c1-13(2,11-15-5-9(21)6-16-11)19-20-14(3,4)12-17-7-10(22)8-18-12;;/h9-10,21-22H,5-8H2,1-4H3,(H,15,16)(H,17,18);2*1H/b20-19+;;.
What are the key properties of 2-[2-[2-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yldiazenyl]propan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol;dihydrochloride?
2-[2-[2-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yldiazenyl]propan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol;dihydrochloride has a molecular weight of 383.32 g/mol, XLogP of 0.56, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yldiazenyl]propan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol;dihydrochloride is sourced from PubChem (CID 22242523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).