2-amino-7-[(2-hydroxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C13H12N4O2 — CID 135457936

IUPAC2-amino-7-[(2-hydroxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(Cc3ccccc3O)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H12N4O2/c14-13-16-10-8(6-15-11(10)12(19)17-13)5-7-3-1-2-4-9(7)18/h1-4,6,15,18H,5H2,(H3,14,16,17,19)
InChIKeyRQCPZIFPORZYES-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.13
Rot. Bonds2

About 2-amino-7-[(2-hydroxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

2-amino-7-[(2-hydroxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135457936) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-amino-7-[(2-hydroxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[(2-hydroxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135457936
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name2-amino-7-[(2-hydroxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(Cc3ccccc3O)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H12N4O2/c14-13-16-10-8(6-15-11(10)12(19)17-13)5-7-3-1-2-4-9(7)18/h1-4,6,15,18H,5H2,(H3,14,16,17,19)
InChIKeyRQCPZIFPORZYES-UHFFFAOYSA-N
XLogP1.13
TPSA107.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-amino-7-[(2-hydroxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-benzyloxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135492524
2-Amino-7-(3-hydroxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135511829
2-Amino-7-(4-hydroxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135526984
3-(2-Amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-phenyl-propionic acid
CID 135726991
2-Amino-7-(3-phenoxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 136055840
2-[[(3R,5R)-5-(4-hydroxyphenyl)-1-methylpiperidin-3-yl]amino]-3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 155562459
2-Amino-7-(1-cyclohexyl-3-hydroxy-propyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 136054572
2-amino-7-[(1R)-1-(2-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135432850
2-Amino-7-[1-(4-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135702891
2-Amino-7-[1-(2-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135702893

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(2-hydroxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[(2-hydroxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135457936) is 2-amino-7-[(2-hydroxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[(2-hydroxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[(2-hydroxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(Cc3ccccc3O)c[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-[(2-hydroxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is RQCPZIFPORZYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-13-16-10-8(6-15-11(10)12(19)17-13)5-7-3-1-2-4-9(7)18/h1-4,6,15,18H,5H2,(H3,14,16,17,19).
What are the key properties of 2-amino-7-[(2-hydroxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-[(2-hydroxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 256.26 g/mol, XLogP of 1.13, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(2-hydroxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135457936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).