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

C21H20N4O — CID 109255992

IUPAC2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone
SMILESCc1cccc(CNc2ncc(C(=O)N3CCc4ccccc43)cn2)c1
InChIInChI=1S/C21H20N4O/c1-15-5-4-6-16(11-15)12-22-21-23-13-18(14-24-21)20(26)25-10-9-17-7-2-3-8-19(17)25/h2-8,11,13-14H,9-10,12H2,1H3,(H,22,23,24)
InChIKeyBQHXVDOCXIIDLV-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.60
Rot. Bonds4

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

2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone (PubChem CID 109255992) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone
PubChem CID109255992
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone
SMILESCc1cccc(CNc2ncc(C(=O)N3CCc4ccccc43)cn2)c1
InChIInChI=1S/C21H20N4O/c1-15-5-4-6-16(11-15)12-22-21-23-13-18(14-24-21)20(26)25-10-9-17-7-2-3-8-19(17)25/h2-8,11,13-14H,9-10,12H2,1H3,(H,22,23,24)
InChIKeyBQHXVDOCXIIDLV-UHFFFAOYSA-N
XLogP3.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
CID 109280409
[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109258276
2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109347072
2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]methanone
CID 109118280
2,3-dihydroindol-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-5-yl]methanone
CID 109260405
2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone
CID 109266071
2,3-dihydroindol-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109255112
4-[2-[(3-methylphenyl)methylamino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254305
[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109255963
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide
CID 109046889
2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone
CID 109265381
(2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 109265177

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone (CID 109255992) is 2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone is Cc1cccc(CNc2ncc(C(=O)N3CCc4ccccc43)cn2)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone?
The InChIKey is BQHXVDOCXIIDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-15-5-4-6-16(11-15)12-22-21-23-13-18(14-24-21)20(26)25-10-9-17-7-2-3-8-19(17)25/h2-8,11,13-14H,9-10,12H2,1H3,(H,22,23,24).
What are the key properties of 2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone?
2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 3.60, 4 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-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 109255992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).