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

C9H17N5O2 — CID 107868726

IUPAC2-ethyl-2-[(2-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol
SMILESCCC(CO)(CO)Nc1ccnc(NN)n1
InChIInChI=1S/C9H17N5O2/c1-2-9(5-15,6-16)13-7-3-4-11-8(12-7)14-10/h3-4,15-16H,2,5-6,10H2,1H3,(H2,11,12,13,14)
InChIKeyZUKOULPZXYLZQT-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.69
Rot. Bonds6

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

2-ethyl-2-[(2-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol (PubChem CID 107868726) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-ethyl-2-[(2-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(2-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol
PubChem CID107868726
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name2-ethyl-2-[(2-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol
SMILESCCC(CO)(CO)Nc1ccnc(NN)n1
InChIInChI=1S/C9H17N5O2/c1-2-9(5-15,6-16)13-7-3-4-11-8(12-7)14-10/h3-4,15-16H,2,5-6,10H2,1H3,(H2,11,12,13,14)
InChIKeyZUKOULPZXYLZQT-UHFFFAOYSA-N
XLogP-0.69
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 ≤ 5-0.69
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'}

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Related Compounds

3-[(2-Aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366516
2-[[2-(1-Hydroxypent-4-en-2-ylamino)pyrimidin-4-yl]amino]pent-4-en-1-ol
CID 132364587
(2R,3S)-2-[(2-fluoropyrimidin-4-yl)amino]-3-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 90415798
2-[(2-Amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 80844260
2-[[5-Fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol
CID 80844801
2-[[5-Fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol
CID 80844927
2-[[2-(Ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylbutan-1-ol
CID 80845254
2-[(5-Fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol
CID 80906774
2-[(5-Fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 80907132
2-[(5-Fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 80917628
2-Ethyl-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol
CID 80918899
(2S)-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80922976

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(2-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol (CID 107868726) is 2-ethyl-2-[(2-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(2-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(2-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol is CCC(CO)(CO)Nc1ccnc(NN)n1.
What is the InChIKey of 2-ethyl-2-[(2-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol?
The InChIKey is ZUKOULPZXYLZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-2-9(5-15,6-16)13-7-3-4-11-8(12-7)14-10/h3-4,15-16H,2,5-6,10H2,1H3,(H2,11,12,13,14).
What are the key properties of 2-ethyl-2-[(2-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol?
2-ethyl-2-[(2-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol has a molecular weight of 227.27 g/mol, XLogP of -0.69, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol is sourced from PubChem (CID 107868726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).