5-(2,3-dihydroindole-1-carbonyl)-3-(3,4-dimethylphenyl)-1H-pyrimidine-2,4-dione

C21H19N3O3 — CID 3627251

IUPAC5-(2,3-dihydroindole-1-carbonyl)-3-(3,4-dimethylphenyl)-1H-pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCc4ccccc43)c2=O)cc1C
InChIInChI=1S/C21H19N3O3/c1-13-7-8-16(11-14(13)2)24-20(26)17(12-22-21(24)27)19(25)23-10-9-15-5-3-4-6-18(15)23/h3-8,11-12H,9-10H2,1-2H3,(H,22,27)
InChIKeyNXIMATATEHWWMW-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.35
Rot. Bonds2

About 5-(2,3-dihydroindole-1-carbonyl)-3-(3,4-dimethylphenyl)-1H-pyrimidine-2,4-dione

5-(2,3-dihydroindole-1-carbonyl)-3-(3,4-dimethylphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 3627251) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 5-(2,3-dihydroindole-1-carbonyl)-3-(3,4-dimethylphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,3-dihydroindole-1-carbonyl)-3-(3,4-dimethylphenyl)-1H-pyrimidine-2,4-dione
PubChem CID3627251
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name5-(2,3-dihydroindole-1-carbonyl)-3-(3,4-dimethylphenyl)-1H-pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCc4ccccc43)c2=O)cc1C
InChIInChI=1S/C21H19N3O3/c1-13-7-8-16(11-14(13)2)24-20(26)17(12-22-21(24)27)19(25)23-10-9-15-5-3-4-6-18(15)23/h3-8,11-12H,9-10H2,1-2H3,(H,22,27)
InChIKeyNXIMATATEHWWMW-UHFFFAOYSA-N
XLogP2.35
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindole-1-carbonyl)-3-(3,4-dimethylphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2,3-dihydroindole-1-carbonyl)-3-(3,4-dimethylphenyl)-1H-pyrimidine-2,4-dione (CID 3627251) is 5-(2,3-dihydroindole-1-carbonyl)-3-(3,4-dimethylphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,3-dihydroindole-1-carbonyl)-3-(3,4-dimethylphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2,3-dihydroindole-1-carbonyl)-3-(3,4-dimethylphenyl)-1H-pyrimidine-2,4-dione is Cc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCc4ccccc43)c2=O)cc1C.
What is the InChIKey of 5-(2,3-dihydroindole-1-carbonyl)-3-(3,4-dimethylphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is NXIMATATEHWWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-13-7-8-16(11-14(13)2)24-20(26)17(12-22-21(24)27)19(25)23-10-9-15-5-3-4-6-18(15)23/h3-8,11-12H,9-10H2,1-2H3,(H,22,27).
What are the key properties of 5-(2,3-dihydroindole-1-carbonyl)-3-(3,4-dimethylphenyl)-1H-pyrimidine-2,4-dione?
5-(2,3-dihydroindole-1-carbonyl)-3-(3,4-dimethylphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 361.40 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindole-1-carbonyl)-3-(3,4-dimethylphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3627251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).