[5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine

C11H19N5S — CID 80896615

IUPAC[5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine
SMILESCCc1c(NN)ncnc1N1CCCSCC1
InChIInChI=1S/C11H19N5S/c1-2-9-10(15-12)13-8-14-11(9)16-4-3-6-17-7-5-16/h8H,2-7,12H2,1H3,(H,13,14,15)
InChIKeyLFAGAWBKXXNFLT-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.27
Rot. Bonds3

About [5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine

[5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine (PubChem CID 80896615) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is [5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine
PubChem CID80896615
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC Name[5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine
SMILESCCc1c(NN)ncnc1N1CCCSCC1
InChIInChI=1S/C11H19N5S/c1-2-9-10(15-12)13-8-14-11(9)16-4-3-6-17-7-5-16/h8H,2-7,12H2,1H3,(H,13,14,15)
InChIKeyLFAGAWBKXXNFLT-UHFFFAOYSA-N
XLogP1.27
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
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

5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80796184
[5-ethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-yl]hydrazine
CID 80905373
5-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80763765
N,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80795778
(5-propan-2-yl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
CID 80932530
[6-(3-ethoxypiperidin-1-yl)-5-ethylpyrimidin-4-yl]hydrazine
CID 80905523
5-methyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80795248
[5-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80911682
6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,5-diethylpyrimidin-4-amine
CID 107460210
1-(6-chloro-5-ethylpyrimidin-4-yl)azepane
CID 63736460
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80907367
4-hydrazinyl-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137338

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine (CID 80896615) is [5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine is CCc1c(NN)ncnc1N1CCCSCC1.
What is the InChIKey of [5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is LFAGAWBKXXNFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c1-2-9-10(15-12)13-8-14-11(9)16-4-3-6-17-7-5-16/h8H,2-7,12H2,1H3,(H,13,14,15).
What are the key properties of [5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine?
[5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 253.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80896615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).