2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone

C20H18N4O2 — CID 109266092

IUPAC2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone
SMILESCOc1ccc(Nc2ncc(C(=O)N3CCc4ccccc43)cn2)cc1
InChIInChI=1S/C20H18N4O2/c1-26-17-8-6-16(7-9-17)23-20-21-12-15(13-22-20)19(25)24-11-10-14-4-2-3-5-18(14)24/h2-9,12-13H,10-11H2,1H3,(H,21,22,23)
InChIKeyXLLMRBJHBXZKQB-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.43
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone

2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone (PubChem CID 109266092) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone
PubChem CID109266092
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone
SMILESCOc1ccc(Nc2ncc(C(=O)N3CCc4ccccc43)cn2)cc1
InChIInChI=1S/C20H18N4O2/c1-26-17-8-6-16(7-9-17)23-20-21-12-15(13-22-20)19(25)24-11-10-14-4-2-3-5-18(14)24/h2-9,12-13H,10-11H2,1H3,(H,21,22,23)
InChIKeyXLLMRBJHBXZKQB-UHFFFAOYSA-N
XLogP3.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 109265177
[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266112
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266253
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266119
2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone
CID 109219537
2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone
CID 109265381
2,3-dihydroindol-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-5-yl]methanone
CID 109260405
2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone
CID 109266139
2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone
CID 109266071
2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109197759
[2-(4-methoxyanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249327
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone (CID 109266092) is 2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone is COc1ccc(Nc2ncc(C(=O)N3CCc4ccccc43)cn2)cc1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone?
The InChIKey is XLLMRBJHBXZKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-26-17-8-6-16(7-9-17)23-20-21-12-15(13-22-20)19(25)24-11-10-14-4-2-3-5-18(14)24/h2-9,12-13H,10-11H2,1H3,(H,21,22,23).
What are the key properties of 2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone?
2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone has a molecular weight of 346.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 109266092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).