[6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C22H22N4O — CID 109356866

IUPAC[6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1ccc(C)c(Nc2cc(C(=O)N3c4ccccc4CC3C)ncn2)c1
InChIInChI=1S/C22H22N4O/c1-14-8-9-15(2)18(10-14)25-21-12-19(23-13-24-21)22(27)26-16(3)11-17-6-4-5-7-20(17)26/h4-10,12-13,16H,11H2,1-3H3,(H,23,24,25)
InChIKeyHOPVTEMCRBPBHU-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.43
Rot. Bonds3

About [6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109356866) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is [6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109356866
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name[6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1ccc(C)c(Nc2cc(C(=O)N3c4ccccc4CC3C)ncn2)c1
InChIInChI=1S/C22H22N4O/c1-14-8-9-15(2)18(10-14)25-21-12-19(23-13-24-21)22(27)26-16(3)11-17-6-4-5-7-20(17)26/h4-10,12-13,16H,11H2,1-3H3,(H,23,24,25)
InChIKeyHOPVTEMCRBPBHU-UHFFFAOYSA-N
XLogP4.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109290952
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
[6-(butylamino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109339981
[5-(2-methoxy-5-methylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109293821
2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone
CID 109356594
N-(2,5-dimethylphenyl)-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
CID 109108285
2,3-dihydroindol-1-yl-[6-(2-methylanilino)pyrimidin-4-yl]methanone
CID 109355900
[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109351469
2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9079616
(6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 124877322
[6-(azepan-1-yl)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109355575
3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone
CID 109356724

Frequently Asked Questions

What is the IUPAC name of [6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109356866) is [6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is Cc1ccc(C)c(Nc2cc(C(=O)N3c4ccccc4CC3C)ncn2)c1.
What is the InChIKey of [6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is HOPVTEMCRBPBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14-8-9-15(2)18(10-14)25-21-12-19(23-13-24-21)22(27)26-16(3)11-17-6-4-5-7-20(17)26/h4-10,12-13,16H,11H2,1-3H3,(H,23,24,25).
What are the key properties of [6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 358.45 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109356866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).