3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol

C11H21N5O — CID 80947904

IUPAC3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
SMILESCCCc1nc(NN)cc(NCC(C)CO)n1
InChIInChI=1S/C11H21N5O/c1-3-4-9-14-10(5-11(15-9)16-12)13-6-8(2)7-17/h5,8,17H,3-4,6-7,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyWHQYOIXHJVDBNC-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.75
Rot. Bonds7

About 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol

3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol (PubChem CID 80947904) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
PubChem CID80947904
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
SMILESCCCc1nc(NN)cc(NCC(C)CO)n1
InChIInChI=1S/C11H21N5O/c1-3-4-9-14-10(5-11(15-9)16-12)13-6-8(2)7-17/h5,8,17H,3-4,6-7,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyWHQYOIXHJVDBNC-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
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

5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 114152330
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80947239
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 80947147
4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106150254
2-ethyl-6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80937623
6-hydrazinyl-N-octyl-2-propylpyrimidin-4-amine
CID 115565446
3-[(6-hydrazinylpyrazin-2-yl)amino]-2-methylpropan-1-ol
CID 80915442
6-hydrazinyl-N-(3-methylpentan-2-yl)-2-propylpyrimidin-4-amine
CID 80946706
methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947630
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106280838
ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947723
N-(6-hydrazinyl-2-propylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043629

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol (CID 80947904) is 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol is CCCc1nc(NN)cc(NCC(C)CO)n1.
What is the InChIKey of 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol?
The InChIKey is WHQYOIXHJVDBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-3-4-9-14-10(5-11(15-9)16-12)13-6-8(2)7-17/h5,8,17H,3-4,6-7,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol?
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 0.75, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 80947904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).