6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-methylpyrimidine-2,4-dione

C22H22N4O3 — CID 2124813

IUPAC6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)c(C(=O)CN2CCc3ccccc32)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H22N4O3/c1-24-21(28)19(18(27)14-25-12-11-16-9-5-6-10-17(16)25)20(23)26(22(24)29)13-15-7-3-2-4-8-15/h2-10H,11-14,23H2,1H3
InChIKeySRMLDBJRZJDHIM-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.42
Rot. Bonds5

About 6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-methylpyrimidine-2,4-dione

6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-methylpyrimidine-2,4-dione (PubChem CID 2124813) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-methylpyrimidine-2,4-dione
PubChem CID2124813
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)c(C(=O)CN2CCc3ccccc32)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H22N4O3/c1-24-21(28)19(18(27)14-25-12-11-16-9-5-6-10-17(16)25)20(23)26(22(24)29)13-15-7-3-2-4-8-15/h2-10H,11-14,23H2,1H3
InChIKeySRMLDBJRZJDHIM-UHFFFAOYSA-N
XLogP1.42
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-methylpyrimidine-2,4-dione (CID 2124813) is 6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-methylpyrimidine-2,4-dione is Cn1c(=O)c(C(=O)CN2CCc3ccccc32)c(N)n(Cc2ccccc2)c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-methylpyrimidine-2,4-dione?
The InChIKey is SRMLDBJRZJDHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-24-21(28)19(18(27)14-25-12-11-16-9-5-6-10-17(16)25)20(23)26(22(24)29)13-15-7-3-2-4-8-15/h2-10H,11-14,23H2,1H3.
What are the key properties of 6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-methylpyrimidine-2,4-dione?
6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 390.44 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 2124813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).