1-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C16H15N3O2 — CID 2101204

IUPAC1-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C)c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2n1
InChIInChI=1S/C16H15N3O2/c1-10-8-11(2)17-14-13(10)15(20)18-16(21)19(14)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,18,20,21)
InChIKeyOUGDVSYSNSYHDR-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.75
Rot. Bonds2

About 1-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

1-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 2101204) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID2101204
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name1-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C)c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2n1
InChIInChI=1S/C16H15N3O2/c1-10-8-11(2)17-14-13(10)15(20)18-16(21)19(14)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,18,20,21)
InChIKeyOUGDVSYSNSYHDR-UHFFFAOYSA-N
XLogP1.75
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 2101204) is 1-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cc1cc(C)c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2n1.
What is the InChIKey of 1-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is OUGDVSYSNSYHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-8-11(2)17-14-13(10)15(20)18-16(21)19(14)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,18,20,21).
What are the key properties of 1-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
1-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 281.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2101204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).