7-phenyl-5-(1-phenylethyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C21H19N3O2 — CID 23877678

IUPAC7-phenyl-5-(1-phenylethyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(c1ccccc1)C1C=C(c2ccccc2)Nc2[nH]c(=O)[nH]c(=O)c21
InChIInChI=1S/C21H19N3O2/c1-13(14-8-4-2-5-9-14)16-12-17(15-10-6-3-7-11-15)22-19-18(16)20(25)24-21(26)23-19/h2-13,16H,1H3,(H3,22,23,24,25,26)
InChIKeyZYUNHCCSFJMWSH-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.42
Rot. Bonds3

About 7-phenyl-5-(1-phenylethyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione

7-phenyl-5-(1-phenylethyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 23877678) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 7-phenyl-5-(1-phenylethyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-phenyl-5-(1-phenylethyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID23877678
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name7-phenyl-5-(1-phenylethyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(c1ccccc1)C1C=C(c2ccccc2)Nc2[nH]c(=O)[nH]c(=O)c21
InChIInChI=1S/C21H19N3O2/c1-13(14-8-4-2-5-9-14)16-12-17(15-10-6-3-7-11-15)22-19-18(16)20(25)24-21(26)23-19/h2-13,16H,1H3,(H3,22,23,24,25,26)
InChIKeyZYUNHCCSFJMWSH-UHFFFAOYSA-N
XLogP3.42
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-(1-phenylethyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-phenyl-5-(1-phenylethyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 23877678) is 7-phenyl-5-(1-phenylethyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-phenyl-5-(1-phenylethyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-phenyl-5-(1-phenylethyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione is CC(c1ccccc1)C1C=C(c2ccccc2)Nc2[nH]c(=O)[nH]c(=O)c21.
What is the InChIKey of 7-phenyl-5-(1-phenylethyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZYUNHCCSFJMWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-13(14-8-4-2-5-9-14)16-12-17(15-10-6-3-7-11-15)22-19-18(16)20(25)24-21(26)23-19/h2-13,16H,1H3,(H3,22,23,24,25,26).
What are the key properties of 7-phenyl-5-(1-phenylethyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
7-phenyl-5-(1-phenylethyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 345.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5-(1-phenylethyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 23877678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).