8-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione

C20H24N4O3 — CID 15170858

IUPAC8-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)cc3)nc2n(CCC)c1=O
InChIInChI=1S/C20H24N4O3/c1-4-12-23-18-17(19(25)24(13-5-2)20(23)26)21-16(22-18)11-8-14-6-9-15(27-3)10-7-14/h6-11H,4-5,12-13H2,1-3H3,(H,21,22)/b11-8+
InChIKeyBBEXVXMDRRFCIG-DHZHZOJOSA-N
MW368.44 g/mol
LogP2.89
Rot. Bonds7

About 8-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione

8-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione (PubChem CID 15170858) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 8-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
PubChem CID15170858
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name8-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)cc3)nc2n(CCC)c1=O
InChIInChI=1S/C20H24N4O3/c1-4-12-23-18-17(19(25)24(13-5-2)20(23)26)21-16(22-18)11-8-14-6-9-15(27-3)10-7-14/h6-11H,4-5,12-13H2,1-3H3,(H,21,22)/b11-8+
InChIKeyBBEXVXMDRRFCIG-DHZHZOJOSA-N
XLogP2.89
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione?
The IUPAC name of 8-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione (CID 15170858) is 8-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione?
The canonical SMILES for 8-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione is CCCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)cc3)nc2n(CCC)c1=O.
What is the InChIKey of 8-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione?
The InChIKey is BBEXVXMDRRFCIG-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-4-12-23-18-17(19(25)24(13-5-2)20(23)26)21-16(22-18)11-8-14-6-9-15(27-3)10-7-14/h6-11H,4-5,12-13H2,1-3H3,(H,21,22)/b11-8+.
What are the key properties of 8-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione?
8-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione has a molecular weight of 368.44 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione is sourced from PubChem (CID 15170858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).