6-benzyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C14H11N3O2 — CID 12028355

IUPAC6-benzyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(Cc3ccccc3)cnc2[nH]1
InChIInChI=1S/C14H11N3O2/c18-13-11-7-10(6-9-4-2-1-3-5-9)8-15-12(11)16-14(19)17-13/h1-5,7-8H,6H2,(H2,15,16,17,18,19)
InChIKeyKDEGNHMZVCXKCE-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.20
Rot. Bonds2

About 6-benzyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione

6-benzyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 12028355) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-benzyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-benzyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID12028355
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name6-benzyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(Cc3ccccc3)cnc2[nH]1
InChIInChI=1S/C14H11N3O2/c18-13-11-7-10(6-9-4-2-1-3-5-9)8-15-12(11)16-14(19)17-13/h1-5,7-8H,6H2,(H2,15,16,17,18,19)
InChIKeyKDEGNHMZVCXKCE-UHFFFAOYSA-N
XLogP1.20
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-benzyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 12028355) is 6-benzyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-benzyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-benzyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione is O=c1[nH]c(=O)c2cc(Cc3ccccc3)cnc2[nH]1.
What is the InChIKey of 6-benzyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is KDEGNHMZVCXKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-13-11-7-10(6-9-4-2-1-3-5-9)8-15-12(11)16-14(19)17-13/h1-5,7-8H,6H2,(H2,15,16,17,18,19).
What are the key properties of 6-benzyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
6-benzyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 253.26 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 12028355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).