7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C12H9N3O2 — CID 135427122

IUPAC7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(Oc3ccccc3)c[nH]c12
InChIInChI=1S/C12H9N3O2/c16-12-11-10(14-7-15-12)9(6-13-11)17-8-4-2-1-3-5-8/h1-7,13H,(H,14,15,16)
InChIKeyBYQUECWAAWJDTE-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.04
Rot. Bonds2

About 7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135427122) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135427122
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(Oc3ccccc3)c[nH]c12
InChIInChI=1S/C12H9N3O2/c16-12-11-10(14-7-15-12)9(6-13-11)17-8-4-2-1-3-5-8/h1-7,13H,(H,14,15,16)
InChIKeyBYQUECWAAWJDTE-UHFFFAOYSA-N
XLogP2.04
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-7-phenoxy-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135480573
2-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 90728020
3-[2-(2-fluorophenoxy)ethyl]-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154566816
3-Amino-4-phenoxypyridine-2-carboxamide
CID 68296372
3-amino-N-methyl-4-phenoxypyridine-2-carboxamide
CID 69161581
6-(Benzyloxy)-5-methylpyrrolo[2,1-F][1,2,4]triazin-4(3H)-one
CID 135509921
7-iodo-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 138555553
4-[4-(carbamoylamino)phenoxy]-N-methyl-1H-pyrrole-2-carboxamide
CID 141180654
4-(4-aminophenoxy)-N-methyl-1H-pyrrole-2-carboxamide
CID 141180655
ethane;5-[4-(2-methoxyethoxy)phenyl]-7-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 142556166
3-(4-ethoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 144032569
5-[2-(4-hydroxypentoxy)phenyl]-7-iodo-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 155229909

Frequently Asked Questions

What is the IUPAC name of 7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135427122) is 7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2c(Oc3ccccc3)c[nH]c12.
What is the InChIKey of 7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is BYQUECWAAWJDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-12-11-10(14-7-15-12)9(6-13-11)17-8-4-2-1-3-5-8/h1-7,13H,(H,14,15,16).
What are the key properties of 7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 227.22 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135427122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).