2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol

C9H17N5O2 — CID 80937394

IUPAC2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol
SMILESCCc1nc(NN)cc(NC(CO)CO)n1
InChIInChI=1S/C9H17N5O2/c1-2-7-12-8(3-9(13-7)14-10)11-6(4-15)5-16/h3,6,15-16H,2,4-5,10H2,1H3,(H2,11,12,13,14)
InChIKeyCREZLMRZTZLZAV-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.91
Rot. Bonds6

About 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol

2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol (PubChem CID 80937394) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol
PubChem CID80937394
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol
SMILESCCc1nc(NN)cc(NC(CO)CO)n1
InChIInChI=1S/C9H17N5O2/c1-2-7-12-8(3-9(13-7)14-10)11-6(4-15)5-16/h3,6,15-16H,2,4-5,10H2,1H3,(H2,11,12,13,14)
InChIKeyCREZLMRZTZLZAV-UHFFFAOYSA-N
XLogP-0.91
TPSA116.32 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol with MolForge

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Related Compounds

2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 80947147
2-ethyl-6-hydrazinyl-N-propan-2-ylpyrimidin-4-amine
CID 80937642
2-ethyl-6-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80940178
N-(dicyclopropylmethyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937603
2-ethyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80940815
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80947239
methyl 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 80937066
3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol
CID 80938523
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
N-(1-cyclohexylethyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80936916
1-cyclopropyl-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80937078

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol?
The IUPAC name of 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol (CID 80937394) is 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol is CCc1nc(NN)cc(NC(CO)CO)n1.
What is the InChIKey of 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol?
The InChIKey is CREZLMRZTZLZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-2-7-12-8(3-9(13-7)14-10)11-6(4-15)5-16/h3,6,15-16H,2,4-5,10H2,1H3,(H2,11,12,13,14).
What are the key properties of 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol?
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol has a molecular weight of 227.27 g/mol, XLogP of -0.91, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol is sourced from PubChem (CID 80937394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).