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

C20H18N4O — CID 109265381

IUPAC2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone
SMILESCc1ccccc1Nc1ncc(C(=O)N2CCc3ccccc32)cn1
InChIInChI=1S/C20H18N4O/c1-14-6-2-4-8-17(14)23-20-21-12-16(13-22-20)19(25)24-11-10-15-7-3-5-9-18(15)24/h2-9,12-13H,10-11H2,1H3,(H,21,22,23)
InChIKeyFWRVZFSYUVBIJV-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.73
Rot. Bonds3

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

2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone (PubChem CID 109265381) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone
PubChem CID109265381
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone
SMILESCc1ccccc1Nc1ncc(C(=O)N2CCc3ccccc32)cn1
InChIInChI=1S/C20H18N4O/c1-14-6-2-4-8-17(14)23-20-21-12-16(13-22-20)19(25)24-11-10-15-7-3-5-9-18(15)24/h2-9,12-13H,10-11H2,1H3,(H,21,22,23)
InChIKeyFWRVZFSYUVBIJV-UHFFFAOYSA-N
XLogP3.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone
CID 109266071
(2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 109265177
2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone
CID 109266139
[2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109266246
[2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266122
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266253
2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266092
2,3-dihydroindol-1-yl-[6-(2-methylanilino)pyrimidin-4-yl]methanone
CID 109355900
[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266112
2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109255992
[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-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
CID 109242383

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone (CID 109265381) is 2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone is Cc1ccccc1Nc1ncc(C(=O)N2CCc3ccccc32)cn1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone?
The InChIKey is FWRVZFSYUVBIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14-6-2-4-8-17(14)23-20-21-12-16(13-22-20)19(25)24-11-10-15-7-3-5-9-18(15)24/h2-9,12-13H,10-11H2,1H3,(H,21,22,23).
What are the key properties of 2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone?
2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone has a molecular weight of 330.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 109265381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).