3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione

C18H19N3O2 — CID 16820310

IUPAC3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)n(CCc2ccccc2)c(=O)c2ncccc21
InChIInChI=1S/C18H19N3O2/c1-2-12-20-15-9-6-11-19-16(15)17(22)21(18(20)23)13-10-14-7-4-3-5-8-14/h3-9,11H,2,10,12-13H2,1H3
InChIKeyBPXFNMLONUHJNJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.21
Rot. Bonds5

About 3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione

3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 16820310) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID16820310
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)n(CCc2ccccc2)c(=O)c2ncccc21
InChIInChI=1S/C18H19N3O2/c1-2-12-20-15-9-6-11-19-16(15)17(22)21(18(20)23)13-10-14-7-4-3-5-8-14/h3-9,11H,2,10,12-13H2,1H3
InChIKeyBPXFNMLONUHJNJ-UHFFFAOYSA-N
XLogP2.21
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione (CID 16820310) is 3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione is CCCn1c(=O)n(CCc2ccccc2)c(=O)c2ncccc21.
What is the InChIKey of 3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is BPXFNMLONUHJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-12-20-15-9-6-11-19-16(15)17(22)21(18(20)23)13-10-14-7-4-3-5-8-14/h3-9,11H,2,10,12-13H2,1H3.
What are the key properties of 3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione?
3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 309.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16820310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).