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

C12H10N4O2 — CID 135480573

IUPAC2-amino-7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(Oc3ccccc3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C12H10N4O2/c13-12-15-9-8(6-14-10(9)11(17)16-12)18-7-4-2-1-3-5-7/h1-6,14H,(H3,13,15,16,17)
InChIKeyNKOQZBQJDRYCNS-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.63
Rot. Bonds2

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

2-amino-7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135480573) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-amino-7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135480573
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name2-amino-7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(Oc3ccccc3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C12H10N4O2/c13-12-15-9-8(6-14-10(9)11(17)16-12)18-7-4-2-1-3-5-7/h1-6,14H,(H3,13,15,16,17)
InChIKeyNKOQZBQJDRYCNS-UHFFFAOYSA-N
XLogP1.63
TPSA96.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-7-(3-methoxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135453917
2-amino-7-(4-(benzyloxy)benzyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 135464196
2-Amino-7-(3-phenoxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 136055840
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
4-[2-(2-amino-7-methyl-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-5-yl)ethoxy]benzonitrile
CID 137179094
4-[4-(carbamoylamino)phenoxy]-N-methyl-1H-pyrrole-2-carboxamide
CID 141180654
4-(4-aminophenoxy)-N-methyl-1H-pyrrole-2-carboxamide
CID 141180655
2-Amino-7-[(2-ethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 142963329
3-(4-ethoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 144032569
(4-Oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl) acetate
CID 175257891
7-Phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135427122

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135480573) is 2-amino-7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(Oc3ccccc3)c[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is NKOQZBQJDRYCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c13-12-15-9-8(6-14-10(9)11(17)16-12)18-7-4-2-1-3-5-7/h1-6,14H,(H3,13,15,16,17).
What are the key properties of 2-amino-7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 242.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-phenoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135480573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).