6-benzyl-5-[2-(dimethylamino)ethylamino]-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione

C21H27N5O3 — CID 163362269

IUPAC6-benzyl-5-[2-(dimethylamino)ethylamino]-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCN(C)CCNc1c(Cc2ccccc2)c(=O)n(C)c2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C21H27N5O3/c1-23(2)12-11-22-17-15(13-14-9-7-6-8-10-14)19(27)24(3)18-16(17)20(28)26(5)21(29)25(18)4/h6-10,22H,11-13H2,1-5H3
InChIKeyUGIQCSGBTHUOSJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP0.50
Rot. Bonds6

About 6-benzyl-5-[2-(dimethylamino)ethylamino]-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione

6-benzyl-5-[2-(dimethylamino)ethylamino]-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 163362269) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 6-benzyl-5-[2-(dimethylamino)ethylamino]-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name6-benzyl-5-[2-(dimethylamino)ethylamino]-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID163362269
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name6-benzyl-5-[2-(dimethylamino)ethylamino]-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCN(C)CCNc1c(Cc2ccccc2)c(=O)n(C)c2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C21H27N5O3/c1-23(2)12-11-22-17-15(13-14-9-7-6-8-10-14)19(27)24(3)18-16(17)20(28)26(5)21(29)25(18)4/h6-10,22H,11-13H2,1-5H3
InChIKeyUGIQCSGBTHUOSJ-UHFFFAOYSA-N
XLogP0.50
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-[2-(dimethylamino)ethylamino]-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 6-benzyl-5-[2-(dimethylamino)ethylamino]-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 163362269) is 6-benzyl-5-[2-(dimethylamino)ethylamino]-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 6-benzyl-5-[2-(dimethylamino)ethylamino]-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 6-benzyl-5-[2-(dimethylamino)ethylamino]-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione is CN(C)CCNc1c(Cc2ccccc2)c(=O)n(C)c2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 6-benzyl-5-[2-(dimethylamino)ethylamino]-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is UGIQCSGBTHUOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-23(2)12-11-22-17-15(13-14-9-7-6-8-10-14)19(27)24(3)18-16(17)20(28)26(5)21(29)25(18)4/h6-10,22H,11-13H2,1-5H3.
What are the key properties of 6-benzyl-5-[2-(dimethylamino)ethylamino]-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
6-benzyl-5-[2-(dimethylamino)ethylamino]-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 397.48 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-[2-(dimethylamino)ethylamino]-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 163362269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).