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

C21H20N4O — CID 109356594

IUPAC2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone
SMILESCc1ccc(Nc2cc(C(=O)N3CCc4ccccc43)ncn2)c(C)c1
InChIInChI=1S/C21H20N4O/c1-14-7-8-17(15(2)11-14)24-20-12-18(22-13-23-20)21(26)25-10-9-16-5-3-4-6-19(16)25/h3-8,11-13H,9-10H2,1-2H3,(H,22,23,24)
InChIKeyOIIJPCCPEAGYIP-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.04
Rot. Bonds3

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

2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone (PubChem CID 109356594) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone
PubChem CID109356594
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone
SMILESCc1ccc(Nc2cc(C(=O)N3CCc4ccccc43)ncn2)c(C)c1
InChIInChI=1S/C21H20N4O/c1-14-7-8-17(15(2)11-14)24-20-12-18(22-13-23-20)21(26)25-10-9-16-5-3-4-6-19(16)25/h3-8,11-13H,9-10H2,1-2H3,(H,22,23,24)
InChIKeyOIIJPCCPEAGYIP-UHFFFAOYSA-N
XLogP4.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[6-(2-methylanilino)pyrimidin-4-yl]methanone
CID 109355900
2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone
CID 109197734
3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone
CID 109356724
2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109356603
2,3-dihydroindol-1-yl-[6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 109356624
2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109347072
1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 109356633
[6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341708
3,4-dihydro-2H-quinolin-1-yl-[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109347315
[6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109356866
2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone
CID 109127391
4-(2,3-dihydroindole-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049527

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone (CID 109356594) is 2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone is Cc1ccc(Nc2cc(C(=O)N3CCc4ccccc43)ncn2)c(C)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone?
The InChIKey is OIIJPCCPEAGYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-7-8-17(15(2)11-14)24-20-12-18(22-13-23-20)21(26)25-10-9-16-5-3-4-6-19(16)25/h3-8,11-13H,9-10H2,1-2H3,(H,22,23,24).
What are the key properties of 2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 4.04, 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-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109356594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).