5-(cyclohexylamino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione

C26H26N4O3 — CID 59717245

IUPAC5-(cyclohexylamino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)cc(NC2CCCCC2)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21
InChIInChI=1S/C26H26N4O3/c1-28-22(31)17-21(27-18-11-5-2-6-12-18)23-24(28)29(19-13-7-3-8-14-19)26(33)30(25(23)32)20-15-9-4-10-16-20/h3-4,7-10,13-18,27H,2,5-6,11-12H2,1H3
InChIKeyZZWAQOBSBBJNNO-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.58
Rot. Bonds4

About 5-(cyclohexylamino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione

5-(cyclohexylamino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 59717245) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 5-(cyclohexylamino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(cyclohexylamino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID59717245
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name5-(cyclohexylamino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)cc(NC2CCCCC2)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21
InChIInChI=1S/C26H26N4O3/c1-28-22(31)17-21(27-18-11-5-2-6-12-18)23-24(28)29(19-13-7-3-8-14-19)26(33)30(25(23)32)20-15-9-4-10-16-20/h3-4,7-10,13-18,27H,2,5-6,11-12H2,1H3
InChIKeyZZWAQOBSBBJNNO-UHFFFAOYSA-N
XLogP3.58
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(cyclohexylamino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 59717245) is 5-(cyclohexylamino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(cyclohexylamino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(cyclohexylamino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)cc(NC2CCCCC2)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21.
What is the InChIKey of 5-(cyclohexylamino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is ZZWAQOBSBBJNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-28-22(31)17-21(27-18-11-5-2-6-12-18)23-24(28)29(19-13-7-3-8-14-19)26(33)30(25(23)32)20-15-9-4-10-16-20/h3-4,7-10,13-18,27H,2,5-6,11-12H2,1H3.
What are the key properties of 5-(cyclohexylamino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
5-(cyclohexylamino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 442.52 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 59717245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).