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

C11H19N5O — CID 112629749

IUPAC[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCCc1nc(NN)cc(N2CCC(CO)C2)n1
InChIInChI=1S/C11H19N5O/c1-2-9-13-10(15-12)5-11(14-9)16-4-3-8(6-16)7-17/h5,8,17H,2-4,6-7,12H2,1H3,(H,13,14,15)
InChIKeyIRSAYXVOIOQZKF-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.14
Rot. Bonds4

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

[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]methanol (PubChem CID 112629749) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
PubChem CID112629749
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCCc1nc(NN)cc(N2CCC(CO)C2)n1
InChIInChI=1S/C11H19N5O/c1-2-9-13-10(15-12)5-11(14-9)16-4-3-8(6-16)7-17/h5,8,17H,2-4,6-7,12H2,1H3,(H,13,14,15)
InChIKeyIRSAYXVOIOQZKF-UHFFFAOYSA-N
XLogP0.14
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.14
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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Related Compounds

[1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629757
[1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 80933961
[1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 80964876
(2-ethyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazine
CID 80937224
[2-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
CID 80938009
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102790003
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116640797
4-hydrazinyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80918018
N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80933054
[2-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80936973
[1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629494
[2-ethyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine
CID 80938080

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]methanol (CID 112629749) is [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]methanol is CCc1nc(NN)cc(N2CCC(CO)C2)n1.
What is the InChIKey of [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The InChIKey is IRSAYXVOIOQZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-9-13-10(15-12)5-11(14-9)16-4-3-8(6-16)7-17/h5,8,17H,2-4,6-7,12H2,1H3,(H,13,14,15).
What are the key properties of [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]methanol has a molecular weight of 237.31 g/mol, XLogP of 0.14, 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)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112629749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).