2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol

C11H21N5O — CID 80995792

IUPAC2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1c(NN)nc(C(C)C)nc1NC(C)CO
InChIInChI=1S/C11H21N5O/c1-6(2)9-14-10(13-7(3)5-17)8(4)11(15-9)16-12/h6-7,17H,5,12H2,1-4H3,(H2,13,14,15,16)
InChIKeyAWLDZSNBACCDCS-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.99
Rot. Bonds5

About 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol

2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 80995792) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID80995792
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1c(NN)nc(C(C)C)nc1NC(C)CO
InChIInChI=1S/C11H21N5O/c1-6(2)9-14-10(13-7(3)5-17)8(4)11(15-9)16-12/h6-7,17H,5,12H2,1-4H3,(H2,13,14,15,16)
InChIKeyAWLDZSNBACCDCS-UHFFFAOYSA-N
XLogP0.99
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.99
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'}

Analyze 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol with MolForge

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Related Compounds

5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163644
3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]butan-1-ol
CID 83180147
4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 106847086
2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557168
2-N-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80995334
5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 107324334
4-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]pentan-1-ol
CID 80926849
3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80996563
4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]pentan-1-ol
CID 80992319
6-hydrazinyl-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 81006788
N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81000479
1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159831

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol (CID 80995792) is 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol is Cc1c(NN)nc(C(C)C)nc1NC(C)CO.
What is the InChIKey of 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is AWLDZSNBACCDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-6(2)9-14-10(13-7(3)5-17)8(4)11(15-9)16-12/h6-7,17H,5,12H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol?
2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 80995792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).