1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol

C8H16N6O — CID 80908741

IUPAC1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1cc(NN)nc(N)n1
InChIInChI=1S/C8H16N6O/c1-5(15)4-14(2)7-3-6(13-10)11-8(9)12-7/h3,5,15H,4,10H2,1-2H3,(H3,9,11,12,13)
InChIKeyDTZVAGKVXVFYRC-UHFFFAOYSA-N
MW212.26 g/mol
LogP-0.84
Rot. Bonds4

About 1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol

1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol (PubChem CID 80908741) has the molecular formula C8H16N6O and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol
PubChem CID80908741
Molecular FormulaC8H16N6O
Molecular Weight212.26 g/mol
Exact Mass212.14
IUPAC Name1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1cc(NN)nc(N)n1
InChIInChI=1S/C8H16N6O/c1-5(15)4-14(2)7-3-6(13-10)11-8(9)12-7/h3,5,15H,4,10H2,1-2H3,(H3,9,11,12,13)
InChIKeyDTZVAGKVXVFYRC-UHFFFAOYSA-N
XLogP-0.84
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol 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-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol (CID 80908741) is 1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol is CC(O)CN(C)c1cc(NN)nc(N)n1.
What is the InChIKey of 1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol?
The InChIKey is DTZVAGKVXVFYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O/c1-5(15)4-14(2)7-3-6(13-10)11-8(9)12-7/h3,5,15H,4,10H2,1-2H3,(H3,9,11,12,13).
What are the key properties of 1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol?
1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol has a molecular weight of 212.26 g/mol, XLogP of -0.84, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol is sourced from PubChem (CID 80908741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).