3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol

C10H19N5O — CID 115366620

IUPAC3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCc1c(NN)ncnc1NCC(C)(C)CO
InChIInChI=1S/C10H19N5O/c1-7-8(12-4-10(2,3)5-16)13-6-14-9(7)15-11/h6,16H,4-5,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyIVGKXNSITKERFE-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.50
Rot. Bonds5

About 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol

3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 115366620) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
PubChem CID115366620
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCc1c(NN)ncnc1NCC(C)(C)CO
InChIInChI=1S/C10H19N5O/c1-7-8(12-4-10(2,3)5-16)13-6-14-9(7)15-11/h6,16H,4-5,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyIVGKXNSITKERFE-UHFFFAOYSA-N
XLogP0.50
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol (CID 115366620) is 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol is Cc1c(NN)ncnc1NCC(C)(C)CO.
What is the InChIKey of 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is IVGKXNSITKERFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-7-8(12-4-10(2,3)5-16)13-6-14-9(7)15-11/h6,16H,4-5,11H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 225.30 g/mol, XLogP of 0.50, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115366620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).