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

C13H23N5O — CID 116640797

IUPAC[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol
SMILESCCc1nc(NN)cc(N2CCCCCC2CO)n1
InChIInChI=1S/C13H23N5O/c1-2-11-15-12(17-14)8-13(16-11)18-7-5-3-4-6-10(18)9-19/h8,10,19H,2-7,9,14H2,1H3,(H,15,16,17)
InChIKeyWVCNQIXBBGVCKY-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.07
Rot. Bonds4

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

[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol (PubChem CID 116640797) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol
PubChem CID116640797
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol
SMILESCCc1nc(NN)cc(N2CCCCCC2CO)n1
InChIInChI=1S/C13H23N5O/c1-2-11-15-12(17-14)8-13(16-11)18-7-5-3-4-6-10(18)9-19/h8,10,19H,2-7,9,14H2,1H3,(H,15,16,17)
InChIKeyWVCNQIXBBGVCKY-UHFFFAOYSA-N
XLogP1.07
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.07
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

[2-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80936973
[1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640655
[1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 102721155
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102790003
(2-ethyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazine
CID 80937224
[1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol
CID 102720517
1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80937172
[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640645
[1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80936341
[6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 80947173
[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 116637083
[2-cyclopropyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 83056734

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol?
The IUPAC name of [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol (CID 116640797) is [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol?
The canonical SMILES for [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol is CCc1nc(NN)cc(N2CCCCCC2CO)n1.
What is the InChIKey of [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol?
The InChIKey is WVCNQIXBBGVCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-11-15-12(17-14)8-13(16-11)18-7-5-3-4-6-10(18)9-19/h8,10,19H,2-7,9,14H2,1H3,(H,15,16,17).
What are the key properties of [1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol?
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol has a molecular weight of 265.36 g/mol, XLogP of 1.07, 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)azepan-2-yl]methanol is sourced from PubChem (CID 116640797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).