7-(1,3-benzodioxol-5-yl)-3-methyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione

C18H17N3O4 — CID 2098047

IUPAC7-(1,3-benzodioxol-5-yl)-3-methyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)n(C)c(=O)c2ccc(-c3ccc4c(c3)OCO4)nc21
InChIInChI=1S/C18H17N3O4/c1-3-8-21-16-12(17(22)20(2)18(21)23)5-6-13(19-16)11-4-7-14-15(9-11)25-10-24-14/h4-7,9H,3,8,10H2,1-2H3
InChIKeyGIXPTHDSQMUGTD-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.90
Rot. Bonds3

About 7-(1,3-benzodioxol-5-yl)-3-methyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione

7-(1,3-benzodioxol-5-yl)-3-methyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 2098047) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 7-(1,3-benzodioxol-5-yl)-3-methyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(1,3-benzodioxol-5-yl)-3-methyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID2098047
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name7-(1,3-benzodioxol-5-yl)-3-methyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)n(C)c(=O)c2ccc(-c3ccc4c(c3)OCO4)nc21
InChIInChI=1S/C18H17N3O4/c1-3-8-21-16-12(17(22)20(2)18(21)23)5-6-13(19-16)11-4-7-14-15(9-11)25-10-24-14/h4-7,9H,3,8,10H2,1-2H3
InChIKeyGIXPTHDSQMUGTD-UHFFFAOYSA-N
XLogP1.90
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzodioxol-5-yl)-3-methyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(1,3-benzodioxol-5-yl)-3-methyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione (CID 2098047) is 7-(1,3-benzodioxol-5-yl)-3-methyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(1,3-benzodioxol-5-yl)-3-methyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(1,3-benzodioxol-5-yl)-3-methyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione is CCCn1c(=O)n(C)c(=O)c2ccc(-c3ccc4c(c3)OCO4)nc21.
What is the InChIKey of 7-(1,3-benzodioxol-5-yl)-3-methyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is GIXPTHDSQMUGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-3-8-21-16-12(17(22)20(2)18(21)23)5-6-13(19-16)11-4-7-14-15(9-11)25-10-24-14/h4-7,9H,3,8,10H2,1-2H3.
What are the key properties of 7-(1,3-benzodioxol-5-yl)-3-methyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
7-(1,3-benzodioxol-5-yl)-3-methyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 339.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzodioxol-5-yl)-3-methyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2098047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).