[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol

C12H21N5O — CID 102790003

IUPAC[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCCc1nc(NN)cc(N2CCC(C)C2CO)n1
InChIInChI=1S/C12H21N5O/c1-3-10-14-11(16-13)6-12(15-10)17-5-4-8(2)9(17)7-18/h6,8-9,18H,3-5,7,13H2,1-2H3,(H,14,15,16)
InChIKeyOZIALSJABISOBZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.53
Rot. Bonds4

About [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol

[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102790003) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102790003
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCCc1nc(NN)cc(N2CCC(C)C2CO)n1
InChIInChI=1S/C12H21N5O/c1-3-10-14-11(16-13)6-12(15-10)17-5-4-8(2)9(17)7-18/h6,8-9,18H,3-5,7,13H2,1-2H3,(H,14,15,16)
InChIKeyOZIALSJABISOBZ-UHFFFAOYSA-N
XLogP0.53
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.53
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol (CID 102790003) is [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol is CCc1nc(NN)cc(N2CCC(C)C2CO)n1.
What is the InChIKey of [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is OZIALSJABISOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-10-14-11(16-13)6-12(15-10)17-5-4-8(2)9(17)7-18/h6,8-9,18H,3-5,7,13H2,1-2H3,(H,14,15,16).
What are the key properties of [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102790003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).