2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol

C11H21N5O — CID 80947147

IUPAC2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCCc1nc(NN)cc(NC(CC)CO)n1
InChIInChI=1S/C11H21N5O/c1-3-5-9-14-10(6-11(15-9)16-12)13-8(4-2)7-17/h6,8,17H,3-5,7,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyYHXDXVJWMUOBSI-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.90
Rot. Bonds7

About 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol

2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 80947147) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID80947147
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCCc1nc(NN)cc(NC(CC)CO)n1
InChIInChI=1S/C11H21N5O/c1-3-5-9-14-10(6-11(15-9)16-12)13-8(4-2)7-17/h6,8,17H,3-5,7,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyYHXDXVJWMUOBSI-UHFFFAOYSA-N
XLogP0.90
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.90
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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Related Compounds

2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80947239
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol
CID 80937394
2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
CID 80950100
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
CID 80950028
6-hydrazinyl-N-(3-methylpentan-2-yl)-2-propylpyrimidin-4-amine
CID 80946706
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 80947904
methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947630
ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947723
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80946866
6-hydrazinyl-N-(1-phenylethyl)-2-propylpyrimidin-4-amine
CID 80947755
5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 114152330
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol (CID 80947147) is 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol is CCCc1nc(NN)cc(NC(CC)CO)n1.
What is the InChIKey of 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is YHXDXVJWMUOBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-3-5-9-14-10(6-11(15-9)16-12)13-8(4-2)7-17/h6,8,17H,3-5,7,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol?
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 0.90, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 80947147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).