2-(2-propoxyphenyl)-1,7-dihydropurin-6-one

C14H14N4O2 — CID 135529458

IUPAC2-(2-propoxyphenyl)-1,7-dihydropurin-6-one
SMILESCCCOc1ccccc1-c1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C14H14N4O2/c1-2-7-20-10-6-4-3-5-9(10)12-17-13-11(14(19)18-12)15-8-16-13/h3-6,8H,2,7H2,1H3,(H2,15,16,17,18,19)
InChIKeyPQTJTRTXCNZDFT-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.10
Rot. Bonds4

About 2-(2-propoxyphenyl)-1,7-dihydropurin-6-one

2-(2-propoxyphenyl)-1,7-dihydropurin-6-one (PubChem CID 135529458) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(2-propoxyphenyl)-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name2-(2-propoxyphenyl)-1,7-dihydropurin-6-one
PubChem CID135529458
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-(2-propoxyphenyl)-1,7-dihydropurin-6-one
SMILESCCCOc1ccccc1-c1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C14H14N4O2/c1-2-7-20-10-6-4-3-5-9(10)12-17-13-11(14(19)18-12)15-8-16-13/h3-6,8H,2,7H2,1H3,(H2,15,16,17,18,19)
InChIKeyPQTJTRTXCNZDFT-UHFFFAOYSA-N
XLogP2.10
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyphenyl)-1,7-dihydropurin-6-one?
The IUPAC name of 2-(2-propoxyphenyl)-1,7-dihydropurin-6-one (CID 135529458) is 2-(2-propoxyphenyl)-1,7-dihydropurin-6-one.
What is the SMILES notation for 2-(2-propoxyphenyl)-1,7-dihydropurin-6-one?
The canonical SMILES for 2-(2-propoxyphenyl)-1,7-dihydropurin-6-one is CCCOc1ccccc1-c1nc2nc[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-(2-propoxyphenyl)-1,7-dihydropurin-6-one?
The InChIKey is PQTJTRTXCNZDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-7-20-10-6-4-3-5-9(10)12-17-13-11(14(19)18-12)15-8-16-13/h3-6,8H,2,7H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 2-(2-propoxyphenyl)-1,7-dihydropurin-6-one?
2-(2-propoxyphenyl)-1,7-dihydropurin-6-one has a molecular weight of 270.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyphenyl)-1,7-dihydropurin-6-one is sourced from PubChem (CID 135529458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).