6-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione

C19H17N3O3 — CID 3241200

IUPAC6-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(=O)cc(N3CCc4ccccc43)[nH]c2=O)cc1
InChIInChI=1S/C19H17N3O3/c1-25-15-8-6-14(7-9-15)22-18(23)12-17(20-19(22)24)21-11-10-13-4-2-3-5-16(13)21/h2-9,12H,10-11H2,1H3,(H,20,24)
InChIKeyUKZPKPVPRKBBRR-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.23
Rot. Bonds3

About 6-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione

6-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 3241200) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione
PubChem CID3241200
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name6-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(=O)cc(N3CCc4ccccc43)[nH]c2=O)cc1
InChIInChI=1S/C19H17N3O3/c1-25-15-8-6-14(7-9-15)22-18(23)12-17(20-19(22)24)21-11-10-13-4-2-3-5-16(13)21/h2-9,12H,10-11H2,1H3,(H,20,24)
InChIKeyUKZPKPVPRKBBRR-UHFFFAOYSA-N
XLogP2.23
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione (CID 3241200) is 6-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione is COc1ccc(-n2c(=O)cc(N3CCc4ccccc43)[nH]c2=O)cc1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is UKZPKPVPRKBBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-25-15-8-6-14(7-9-15)22-18(23)12-17(20-19(22)24)21-11-10-13-4-2-3-5-16(13)21/h2-9,12H,10-11H2,1H3,(H,20,24).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione?
6-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 335.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3241200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).