4-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione

C12H16N6O2 — CID 80968597

IUPAC4-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1c1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C12H16N6O2/c1-6-12(20)16-10(19)5-18(6)9-4-8(17-13)14-11(15-9)7-2-3-7/h4,6-7H,2-3,5,13H2,1H3,(H,14,15,17)(H,16,19,20)
InChIKeyIIBYGZYYOLLGKU-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.51
Rot. Bonds3

About 4-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione

4-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione (PubChem CID 80968597) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione
PubChem CID80968597
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name4-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1c1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C12H16N6O2/c1-6-12(20)16-10(19)5-18(6)9-4-8(17-13)14-11(15-9)7-2-3-7/h4,6-7H,2-3,5,13H2,1H3,(H,14,15,17)(H,16,19,20)
InChIKeyIIBYGZYYOLLGKU-UHFFFAOYSA-N
XLogP-0.51
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[2-amino-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 80850978
3-methyl-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80851054
4-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione
CID 79827948
[2-cyclopropyl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80969506
[2-cyclopropyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 83056734
[2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80969657
(2-cyclopropyl-6-piperazin-1-ylpyrimidin-4-yl)hydrazine
CID 80968466
[2-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80969166
1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81109226
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 106768014
[2-cyclopropyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
CID 80968558
[2-cyclopropyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80968250

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione (CID 80968597) is 4-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1c1cc(NN)nc(C2CC2)n1.
What is the InChIKey of 4-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione?
The InChIKey is IIBYGZYYOLLGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-6-12(20)16-10(19)5-18(6)9-4-8(17-13)14-11(15-9)7-2-3-7/h4,6-7H,2-3,5,13H2,1H3,(H,14,15,17)(H,16,19,20).
What are the key properties of 4-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione?
4-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione has a molecular weight of 276.30 g/mol, XLogP of -0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 80968597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).