3-ethyl-4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)piperazin-2-one

C13H22N6O — CID 80910440

IUPAC3-ethyl-4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)piperazin-2-one
SMILESCCC1C(=O)NCCN1c1ncnc(NN)c1C(C)C
InChIInChI=1S/C13H22N6O/c1-4-9-13(20)15-5-6-19(9)12-10(8(2)3)11(18-14)16-7-17-12/h7-9H,4-6,14H2,1-3H3,(H,15,20)(H,16,17,18)
InChIKeyNSDAFVYGXWIFRS-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.60
Rot. Bonds4

About 3-ethyl-4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)piperazin-2-one

3-ethyl-4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)piperazin-2-one (PubChem CID 80910440) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-ethyl-4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)piperazin-2-one
PubChem CID80910440
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name3-ethyl-4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)piperazin-2-one
SMILESCCC1C(=O)NCCN1c1ncnc(NN)c1C(C)C
InChIInChI=1S/C13H22N6O/c1-4-9-13(20)15-5-6-19(9)12-10(8(2)3)11(18-14)16-7-17-12/h7-9H,4-6,14H2,1-3H3,(H,15,20)(H,16,17,18)
InChIKeyNSDAFVYGXWIFRS-UHFFFAOYSA-N
XLogP0.60
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.60
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'}

Analyze 3-ethyl-4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 80930528
3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one
CID 80833683
3-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione
CID 80925457
4-[2-(1-aminoethyl)phenyl]-3-ethylpiperazin-2-one
CID 63601313
4-(6-ethoxypyrimidin-4-yl)-3-ethylpiperazin-2-one
CID 133490439
(5-propan-2-yl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
CID 80932530
(3S)-3-ethyl-4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-2-one
CID 95973285
3-ethyl-4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)piperazin-2-one
CID 105388347
4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-3-ethylpiperazin-2-one
CID 102758288
4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one
CID 104540385
3-ethyl-4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]piperazin-2-one
CID 63603348
3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one
CID 80957569

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)piperazin-2-one (CID 80910440) is 3-ethyl-4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)piperazin-2-one is CCC1C(=O)NCCN1c1ncnc(NN)c1C(C)C.
What is the InChIKey of 3-ethyl-4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)piperazin-2-one?
The InChIKey is NSDAFVYGXWIFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-4-9-13(20)15-5-6-19(9)12-10(8(2)3)11(18-14)16-7-17-12/h7-9H,4-6,14H2,1-3H3,(H,15,20)(H,16,17,18).
What are the key properties of 3-ethyl-4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)piperazin-2-one?
3-ethyl-4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)piperazin-2-one has a molecular weight of 278.36 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 80910440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).