3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol

C11H21N5O — CID 106198904

IUPAC3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCc1nc(NN)cc(NC(C)(C)C(C)(C)O)n1
InChIInChI=1S/C11H21N5O/c1-7-13-8(6-9(14-7)16-12)15-10(2,3)11(4,5)17/h6,17H,12H2,1-5H3,(H2,13,14,15,16)
InChIKeyGEXXPRSRJXSMKR-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.03
Rot. Bonds4

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

3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 106198904) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
PubChem CID106198904
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCc1nc(NN)cc(NC(C)(C)C(C)(C)O)n1
InChIInChI=1S/C11H21N5O/c1-7-13-8(6-9(14-7)16-12)15-10(2,3)11(4,5)17/h6,17H,12H2,1-5H3,(H2,13,14,15,16)
InChIKeyGEXXPRSRJXSMKR-UHFFFAOYSA-N
XLogP1.03
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.03
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-2-methylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol (CID 106198904) is 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol is Cc1nc(NN)cc(NC(C)(C)C(C)(C)O)n1.
What is the InChIKey of 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is GEXXPRSRJXSMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-7-13-8(6-9(14-7)16-12)15-10(2,3)11(4,5)17/h6,17H,12H2,1-5H3,(H2,13,14,15,16).
What are the key properties of 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106198904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).