4-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-3-methylpiperazin-2-one

C13H20N6O — CID 81006699

IUPAC4-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-3-methylpiperazin-2-one
SMILESCc1c(NN)nc(C2CC2)nc1N1CCNC(=O)C1C
InChIInChI=1S/C13H20N6O/c1-7-10(18-14)16-11(9-3-4-9)17-12(7)19-6-5-15-13(20)8(19)2/h8-9H,3-6,14H2,1-2H3,(H,15,20)(H,16,17,18)
InChIKeyUNNPCNMDJLZATB-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.27
Rot. Bonds3

About 4-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-3-methylpiperazin-2-one

4-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-3-methylpiperazin-2-one (PubChem CID 81006699) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-3-methylpiperazin-2-one
PubChem CID81006699
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name4-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-3-methylpiperazin-2-one
SMILESCc1c(NN)nc(C2CC2)nc1N1CCNC(=O)C1C
InChIInChI=1S/C13H20N6O/c1-7-10(18-14)16-11(9-3-4-9)17-12(7)19-6-5-15-13(20)8(19)2/h8-9H,3-6,14H2,1-2H3,(H,15,20)(H,16,17,18)
InChIKeyUNNPCNMDJLZATB-UHFFFAOYSA-N
XLogP0.27
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.27
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

[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 82744561
[2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-yl]hydrazine
CID 104961889
[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 115563143
1-[1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106839940
[2-cyclopropyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]hydrazine
CID 81005992
1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
CID 81001490
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propan-2-ylpyrimidin-4-amine
CID 81000903
4-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-3-methylpiperazin-2-one
CID 103333694
4,6-dimethyl-2-(2-methyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile
CID 55217676
N-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 81001681
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-propan-2-ylpyrimidin-4-amine
CID 81000896
1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80987629

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-3-methylpiperazin-2-one (CID 81006699) is 4-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-3-methylpiperazin-2-one is Cc1c(NN)nc(C2CC2)nc1N1CCNC(=O)C1C.
What is the InChIKey of 4-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-3-methylpiperazin-2-one?
The InChIKey is UNNPCNMDJLZATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-7-10(18-14)16-11(9-3-4-9)17-12(7)19-6-5-15-13(20)8(19)2/h8-9H,3-6,14H2,1-2H3,(H,15,20)(H,16,17,18).
What are the key properties of 4-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-3-methylpiperazin-2-one?
4-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-3-methylpiperazin-2-one has a molecular weight of 276.34 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-3-methylpiperazin-2-one is sourced from PubChem (CID 81006699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).