8-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione

C15H15N5O4 — CID 167939861

IUPAC8-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc4c(n3)OCCO4)nc21
InChIInChI=1S/C15H15N5O4/c1-2-5-20-12-10(13(21)19-15(20)22)17-11(18-12)8-3-4-9-14(16-8)24-7-6-23-9/h3-4H,2,5-7H2,1H3,(H,17,18)(H,19,21,22)
InChIKeyZCLGDTPPACXGOW-UHFFFAOYSA-N
MW329.32 g/mol
LogP0.66
Rot. Bonds3

About 8-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione

8-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione (PubChem CID 167939861) has the molecular formula C15H15N5O4 and a molecular weight of 329.32 g/mol. Its IUPAC name is 8-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione
PubChem CID167939861
Molecular FormulaC15H15N5O4
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC Name8-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc4c(n3)OCCO4)nc21
InChIInChI=1S/C15H15N5O4/c1-2-5-20-12-10(13(21)19-15(20)22)17-11(18-12)8-3-4-9-14(16-8)24-7-6-23-9/h3-4H,2,5-7H2,1H3,(H,17,18)(H,19,21,22)
InChIKeyZCLGDTPPACXGOW-UHFFFAOYSA-N
XLogP0.66
TPSA114.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione?
The IUPAC name of 8-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione (CID 167939861) is 8-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione is CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc4c(n3)OCCO4)nc21.
What is the InChIKey of 8-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione?
The InChIKey is ZCLGDTPPACXGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4/c1-2-5-20-12-10(13(21)19-15(20)22)17-11(18-12)8-3-4-9-14(16-8)24-7-6-23-9/h3-4H,2,5-7H2,1H3,(H,17,18)(H,19,21,22).
What are the key properties of 8-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione?
8-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione has a molecular weight of 329.32 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione is sourced from PubChem (CID 167939861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).