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

C11H19N5O3 — CID 107855136

IUPAC2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESNNc1cc(NC(CO)(CO)CO)nc(C2CC2)n1
InChIInChI=1S/C11H19N5O3/c12-16-9-3-8(13-10(14-9)7-1-2-7)15-11(4-17,5-18)6-19/h3,7,17-19H,1-2,4-6,12H2,(H2,13,14,15,16)
InChIKeyLCPRKPQQBZQGOT-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.23
Rot. Bonds7

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

2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107855136) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID107855136
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESNNc1cc(NC(CO)(CO)CO)nc(C2CC2)n1
InChIInChI=1S/C11H19N5O3/c12-16-9-3-8(13-10(14-9)7-1-2-7)15-11(4-17,5-18)6-19/h3,7,17-19H,1-2,4-6,12H2,(H2,13,14,15,16)
InChIKeyLCPRKPQQBZQGOT-UHFFFAOYSA-N
XLogP-1.23
TPSA136.55 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol (CID 107855136) is 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol is NNc1cc(NC(CO)(CO)CO)nc(C2CC2)n1.
What is the InChIKey of 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is LCPRKPQQBZQGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c12-16-9-3-8(13-10(14-9)7-1-2-7)15-11(4-17,5-18)6-19/h3,7,17-19H,1-2,4-6,12H2,(H2,13,14,15,16).
What are the key properties of 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 269.30 g/mol, XLogP of -1.23, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107855136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).