2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide

C22H22N4O — CID 109335380

IUPAC2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(C)nc(N3CCc4ccccc43)n2)c1
InChIInChI=1S/C22H22N4O/c1-14-10-15(2)12-18(11-14)24-21(27)19-13-16(3)23-22(25-19)26-9-8-17-6-4-5-7-20(17)26/h4-7,10-13H,8-9H2,1-3H3,(H,24,27)
InChIKeyMBPUYQCZFNQMTQ-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.35
Rot. Bonds3

About 2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide

2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109335380) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109335380
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(C)nc(N3CCc4ccccc43)n2)c1
InChIInChI=1S/C22H22N4O/c1-14-10-15(2)12-18(11-14)24-21(27)19-13-16(3)23-22(25-19)26-9-8-17-6-4-5-7-20(17)26/h4-7,10-13H,8-9H2,1-3H3,(H,24,27)
InChIKeyMBPUYQCZFNQMTQ-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335430
N-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335446
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109335535
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335400
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109328917
2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328560
2-(2,3-dihydroindol-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325347
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319150
6-(2,3-dihydroindol-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112847953
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109335434
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109323431
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331562

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109335380) is 2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C)cc(NC(=O)c2cc(C)nc(N3CCc4ccccc43)n2)c1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is MBPUYQCZFNQMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14-10-15(2)12-18(11-14)24-21(27)19-13-16(3)23-22(25-19)26-9-8-17-6-4-5-7-20(17)26/h4-7,10-13H,8-9H2,1-3H3,(H,24,27).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109335380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).