6-[2-(3-ethylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one

C20H18N4O — CID 163891686

IUPAC6-[2-(3-ethylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one
SMILESCCc1cccc(Nc2ncc(-c3ccc4c(c3)NC(=O)C4)cn2)c1
InChIInChI=1S/C20H18N4O/c1-2-13-4-3-5-17(8-13)23-20-21-11-16(12-22-20)14-6-7-15-10-19(25)24-18(15)9-14/h3-9,11-12H,2,10H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyGQHBPSXYKAMJNX-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.94
Rot. Bonds4

About 6-[2-(3-ethylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one

6-[2-(3-ethylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one (PubChem CID 163891686) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-[2-(3-ethylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[2-(3-ethylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one
PubChem CID163891686
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name6-[2-(3-ethylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one
SMILESCCc1cccc(Nc2ncc(-c3ccc4c(c3)NC(=O)C4)cn2)c1
InChIInChI=1S/C20H18N4O/c1-2-13-4-3-5-17(8-13)23-20-21-11-16(12-22-20)14-6-7-15-10-19(25)24-18(15)9-14/h3-9,11-12H,2,10H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyGQHBPSXYKAMJNX-UHFFFAOYSA-N
XLogP3.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[3-(methylamino)propyl]anilino]-9-thiophen-3-yl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
CID 143213884
6-phenyl-1,3-dihydroindol-2-one
CID 10536384
6-(3-aminoanilino)-1,3-dihydroindol-2-one
CID 59397049
6-[(4-anilino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]-1,3-dihydroindol-2-one
CID 158324489
5-[[5-chloro-4-[(3-methylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 11740476
6-(4-hydroxyphenyl)-1,3-dihydroindol-2-one
CID 68878128
6-[[4-tert-butyl-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
CID 161285312
3-N-(5-ethylpyrimidin-2-yl)-1-N-methylbenzene-1,3-diamine
CID 116974888
5-[2-[2-(3-hydroxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one
CID 163602287
6-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
CID 160703504
6-[5-[(4-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one
CID 165030774
6-(3,5-dimethoxyphenyl)-1,3-dihydroindol-2-one
CID 146673871

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-ethylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[2-(3-ethylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one (CID 163891686) is 6-[2-(3-ethylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[2-(3-ethylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[2-(3-ethylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one is CCc1cccc(Nc2ncc(-c3ccc4c(c3)NC(=O)C4)cn2)c1.
What is the InChIKey of 6-[2-(3-ethylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one?
The InChIKey is GQHBPSXYKAMJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-2-13-4-3-5-17(8-13)23-20-21-11-16(12-22-20)14-6-7-15-10-19(25)24-18(15)9-14/h3-9,11-12H,2,10H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-[2-(3-ethylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one?
6-[2-(3-ethylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one has a molecular weight of 330.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-ethylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 163891686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).