3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione

C23H21N3O3 — CID 20879749

IUPAC3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)c3cccnc3n(Cc3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C23H21N3O3/c1-16-5-7-17(8-6-16)14-25-21-20(4-3-13-24-21)22(27)26(23(25)28)15-18-9-11-19(29-2)12-10-18/h3-13H,14-15H2,1-2H3
InChIKeyBBMYMXINIDCCMN-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.97
Rot. Bonds5

About 3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione

3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 20879749) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID20879749
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)c3cccnc3n(Cc3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C23H21N3O3/c1-16-5-7-17(8-6-16)14-25-21-20(4-3-13-24-21)22(27)26(23(25)28)15-18-9-11-19(29-2)12-10-18/h3-13H,14-15H2,1-2H3
InChIKeyBBMYMXINIDCCMN-UHFFFAOYSA-N
XLogP2.97
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 20879749) is 3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(Cn2c(=O)c3cccnc3n(Cc3ccc(C)cc3)c2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BBMYMXINIDCCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-16-5-7-17(8-6-16)14-25-21-20(4-3-13-24-21)22(27)26(23(25)28)15-18-9-11-19(29-2)12-10-18/h3-13H,14-15H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 387.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 20879749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).