5-(2-ethoxyphenyl)-1,3-dimethyl-7-phenylpyrido[2,3-d]pyrimidine-2,4-dione

C23H21N3O3 — CID 2392552

IUPAC5-(2-ethoxyphenyl)-1,3-dimethyl-7-phenylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCOc1ccccc1-c1cc(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C23H21N3O3/c1-4-29-19-13-9-8-12-16(19)17-14-18(15-10-6-5-7-11-15)24-21-20(17)22(27)26(3)23(28)25(21)2/h5-14H,4H2,1-3H3
InChIKeyRLCUBUJEEFJRPO-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.36
Rot. Bonds4

About 5-(2-ethoxyphenyl)-1,3-dimethyl-7-phenylpyrido[2,3-d]pyrimidine-2,4-dione

5-(2-ethoxyphenyl)-1,3-dimethyl-7-phenylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 2392552) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-1,3-dimethyl-7-phenylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-1,3-dimethyl-7-phenylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID2392552
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name5-(2-ethoxyphenyl)-1,3-dimethyl-7-phenylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCOc1ccccc1-c1cc(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C23H21N3O3/c1-4-29-19-13-9-8-12-16(19)17-14-18(15-10-6-5-7-11-15)24-21-20(17)22(27)26(3)23(28)25(21)2/h5-14H,4H2,1-3H3
InChIKeyRLCUBUJEEFJRPO-UHFFFAOYSA-N
XLogP3.36
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-1,3-dimethyl-7-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(2-ethoxyphenyl)-1,3-dimethyl-7-phenylpyrido[2,3-d]pyrimidine-2,4-dione (CID 2392552) is 5-(2-ethoxyphenyl)-1,3-dimethyl-7-phenylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-ethoxyphenyl)-1,3-dimethyl-7-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-ethoxyphenyl)-1,3-dimethyl-7-phenylpyrido[2,3-d]pyrimidine-2,4-dione is CCOc1ccccc1-c1cc(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 5-(2-ethoxyphenyl)-1,3-dimethyl-7-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RLCUBUJEEFJRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-4-29-19-13-9-8-12-16(19)17-14-18(15-10-6-5-7-11-15)24-21-20(17)22(27)26(3)23(28)25(21)2/h5-14H,4H2,1-3H3.
What are the key properties of 5-(2-ethoxyphenyl)-1,3-dimethyl-7-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(2-ethoxyphenyl)-1,3-dimethyl-7-phenylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 387.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-1,3-dimethyl-7-phenylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2392552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).