1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol

C9H17N5O — CID 80906559

IUPAC1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol
SMILESCCc1c(NN)ncnc1NCC(C)O
InChIInChI=1S/C9H17N5O/c1-3-7-8(11-4-6(2)15)12-5-13-9(7)14-10/h5-6,15H,3-4,10H2,1-2H3,(H2,11,12,13,14)
InChIKeySIYNVFVJGZXVOB-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.12
Rot. Bonds5

About 1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol

1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol (PubChem CID 80906559) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol
PubChem CID80906559
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol
SMILESCCc1c(NN)ncnc1NCC(C)O
InChIInChI=1S/C9H17N5O/c1-3-7-8(11-4-6(2)15)12-5-13-9(7)14-10/h5-6,15H,3-4,10H2,1-2H3,(H2,11,12,13,14)
InChIKeySIYNVFVJGZXVOB-UHFFFAOYSA-N
XLogP0.12
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.12
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-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138738
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179504
5-ethyl-6-hydrazinyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 80913903
2-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82949550
5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 80897613
4-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106249039
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80779051
2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80897748
(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol
CID 130619296
4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80841124
6-N,5-diethyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-4,6-diamine
CID 102908943
4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80844938

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol (CID 80906559) is 1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol is CCc1c(NN)ncnc1NCC(C)O.
What is the InChIKey of 1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is SIYNVFVJGZXVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-3-7-8(11-4-6(2)15)12-5-13-9(7)14-10/h5-6,15H,3-4,10H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol?
1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 211.27 g/mol, XLogP of 0.12, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 80906559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).