5,8-dimethyl-1,3,6-triphenylpyrido[2,3-d]pyrimidine-2,4,7-trione

C27H21N3O3 — CID 2817566

IUPAC5,8-dimethyl-1,3,6-triphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCc1c(-c2ccccc2)c(=O)n(C)c2c1c(=O)n(-c1ccccc1)c(=O)n2-c1ccccc1
InChIInChI=1S/C27H21N3O3/c1-18-22(19-12-6-3-7-13-19)25(31)28(2)24-23(18)26(32)30(21-16-10-5-11-17-21)27(33)29(24)20-14-8-4-9-15-20/h3-17H,1-2H3
InChIKeyJUCWJXHVDRKDCT-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.82
Rot. Bonds3

About 5,8-dimethyl-1,3,6-triphenylpyrido[2,3-d]pyrimidine-2,4,7-trione

5,8-dimethyl-1,3,6-triphenylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 2817566) has the molecular formula C27H21N3O3 and a molecular weight of 435.48 g/mol. Its IUPAC name is 5,8-dimethyl-1,3,6-triphenylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5,8-dimethyl-1,3,6-triphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID2817566
Molecular FormulaC27H21N3O3
Molecular Weight435.48 g/mol
Exact Mass435.16
IUPAC Name5,8-dimethyl-1,3,6-triphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCc1c(-c2ccccc2)c(=O)n(C)c2c1c(=O)n(-c1ccccc1)c(=O)n2-c1ccccc1
InChIInChI=1S/C27H21N3O3/c1-18-22(19-12-6-3-7-13-19)25(31)28(2)24-23(18)26(32)30(21-16-10-5-11-17-21)27(33)29(24)20-14-8-4-9-15-20/h3-17H,1-2H3
InChIKeyJUCWJXHVDRKDCT-UHFFFAOYSA-N
XLogP3.82
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-1,3,6-triphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5,8-dimethyl-1,3,6-triphenylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 2817566) is 5,8-dimethyl-1,3,6-triphenylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5,8-dimethyl-1,3,6-triphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5,8-dimethyl-1,3,6-triphenylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cc1c(-c2ccccc2)c(=O)n(C)c2c1c(=O)n(-c1ccccc1)c(=O)n2-c1ccccc1.
What is the InChIKey of 5,8-dimethyl-1,3,6-triphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is JUCWJXHVDRKDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3/c1-18-22(19-12-6-3-7-13-19)25(31)28(2)24-23(18)26(32)30(21-16-10-5-11-17-21)27(33)29(24)20-14-8-4-9-15-20/h3-17H,1-2H3.
What are the key properties of 5,8-dimethyl-1,3,6-triphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
5,8-dimethyl-1,3,6-triphenylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 435.48 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-1,3,6-triphenylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 2817566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).