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

C23H21N3O2 — CID 41240424

IUPAC1,3-bis[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccc(Cn2c(=O)c3ncccc3n(Cc3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C23H21N3O2/c1-16-5-9-18(10-6-16)14-25-20-4-3-13-24-21(20)22(27)26(23(25)28)15-19-11-7-17(2)8-12-19/h3-13H,14-15H2,1-2H3
InChIKeyDPZXXQFEBLWOOH-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.27
Rot. Bonds4

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

1,3-bis[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 41240424) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1,3-bis[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID41240424
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1,3-bis[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccc(Cn2c(=O)c3ncccc3n(Cc3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C23H21N3O2/c1-16-5-9-18(10-6-16)14-25-20-4-3-13-24-21(20)22(27)26(23(25)28)15-19-11-7-17(2)8-12-19/h3-13H,14-15H2,1-2H3
InChIKeyDPZXXQFEBLWOOH-UHFFFAOYSA-N
XLogP3.27
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-bis[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione (CID 41240424) is 1,3-bis[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-bis[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-bis[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione is Cc1ccc(Cn2c(=O)c3ncccc3n(Cc3ccc(C)cc3)c2=O)cc1.
What is the InChIKey of 1,3-bis[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is DPZXXQFEBLWOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16-5-9-18(10-6-16)14-25-20-4-3-13-24-21(20)22(27)26(23(25)28)15-19-11-7-17(2)8-12-19/h3-13H,14-15H2,1-2H3.
What are the key properties of 1,3-bis[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
1,3-bis[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 371.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 41240424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).