1-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol

C10H18N6O — CID 112629777

IUPAC1-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2cc(NN)nc(N)n2)C1
InChIInChI=1S/C10H18N6O/c1-6(17)7-2-3-16(5-7)9-4-8(15-12)13-10(11)14-9/h4,6-7,17H,2-3,5,12H2,1H3,(H3,11,13,14,15)
InChIKeySINOZWHIHBWELJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.45
Rot. Bonds3

About 1-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol

1-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol (PubChem CID 112629777) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
PubChem CID112629777
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name1-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2cc(NN)nc(N)n2)C1
InChIInChI=1S/C10H18N6O/c1-6(17)7-2-3-16(5-7)9-4-8(15-12)13-10(11)14-9/h4,6-7,17H,2-3,5,12H2,1H3,(H3,11,13,14,15)
InChIKeySINOZWHIHBWELJ-UHFFFAOYSA-N
XLogP-0.45
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol (CID 112629777) is 1-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2cc(NN)nc(N)n2)C1.
What is the InChIKey of 1-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is SINOZWHIHBWELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-6(17)7-2-3-16(5-7)9-4-8(15-12)13-10(11)14-9/h4,6-7,17H,2-3,5,12H2,1H3,(H3,11,13,14,15).
What are the key properties of 1-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
1-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 238.29 g/mol, XLogP of -0.45, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112629777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).