2-ethyl-7-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one

C15H18N6O — CID 143003274

IUPAC2-ethyl-7-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one
SMILESCCN1Cc2cccc(Nc3nc(NN)ncc3C)c2C1=O
InChIInChI=1S/C15H18N6O/c1-3-21-8-10-5-4-6-11(12(10)14(21)22)18-13-9(2)7-17-15(19-13)20-16/h4-7H,3,8,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyLTVVWRMIXHPUEG-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.79
Rot. Bonds4

About 2-ethyl-7-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one

2-ethyl-7-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one (PubChem CID 143003274) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-ethyl-7-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-ethyl-7-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one
PubChem CID143003274
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name2-ethyl-7-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one
SMILESCCN1Cc2cccc(Nc3nc(NN)ncc3C)c2C1=O
InChIInChI=1S/C15H18N6O/c1-3-21-8-10-5-4-6-11(12(10)14(21)22)18-13-9(2)7-17-15(19-13)20-16/h4-7H,3,8,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyLTVVWRMIXHPUEG-UHFFFAOYSA-N
XLogP1.79
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.79
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

N-(2-hydrazinyl-5-methylpyrimidin-4-yl)quinolin-8-amine
CID 80926155
7-[[5-chloro-2-(hydroxyamino)pyrimidin-4-yl]amino]-2-methyl-3H-isoindol-1-one
CID 143189469
7-[[2-[2,3-dimethyl-4-(4-methylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]amino]-2,3-dihydroinden-1-one
CID 164568655
N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107465309
N-(4-ethyl-3-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114250739
N-(3-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80905291
N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927969
2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 66792053
N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927038
5-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
CID 22060421
5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 80920340
N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 104728727

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one?
The IUPAC name of 2-ethyl-7-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one (CID 143003274) is 2-ethyl-7-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one.
What is the SMILES notation for 2-ethyl-7-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one?
The canonical SMILES for 2-ethyl-7-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one is CCN1Cc2cccc(Nc3nc(NN)ncc3C)c2C1=O.
What is the InChIKey of 2-ethyl-7-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one?
The InChIKey is LTVVWRMIXHPUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-3-21-8-10-5-4-6-11(12(10)14(21)22)18-13-9(2)7-17-15(19-13)20-16/h4-7H,3,8,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-ethyl-7-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one?
2-ethyl-7-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one has a molecular weight of 298.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one is sourced from PubChem (CID 143003274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).