1-(2,4-dimethylphenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione

C22H20N4O2 — CID 67862526

IUPAC1-(2,4-dimethylphenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(Cn2c(=O)c3cccnc3n(-c3ccc(C)cc3C)c2=O)nc1
InChIInChI=1S/C22H20N4O2/c1-14-7-9-19(16(3)11-14)26-20-18(5-4-10-23-20)21(27)25(22(26)28)13-17-8-6-15(2)12-24-17/h4-12H,13H2,1-3H3
InChIKeyZNEXXAWHLIJDMT-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.92
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione

1-(2,4-dimethylphenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 67862526) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID67862526
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name1-(2,4-dimethylphenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(Cn2c(=O)c3cccnc3n(-c3ccc(C)cc3C)c2=O)nc1
InChIInChI=1S/C22H20N4O2/c1-14-7-9-19(16(3)11-14)26-20-18(5-4-10-23-20)21(27)25(22(26)28)13-17-8-6-15(2)12-24-17/h4-12H,13H2,1-3H3
InChIKeyZNEXXAWHLIJDMT-UHFFFAOYSA-N
XLogP2.92
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 67862526) is 1-(2,4-dimethylphenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is Cc1ccc(Cn2c(=O)c3cccnc3n(-c3ccc(C)cc3C)c2=O)nc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZNEXXAWHLIJDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14-7-9-19(16(3)11-14)26-20-18(5-4-10-23-20)21(27)25(22(26)28)13-17-8-6-15(2)12-24-17/h4-12H,13H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
1-(2,4-dimethylphenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 372.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 67862526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).