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

C13H12N4O — CID 135566676

IUPAC2-amino-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2c[nH]c3nc(N)[nH]c(=O)c23)cc1
InChIInChI=1S/C13H12N4O/c1-7-2-4-8(5-3-7)9-6-15-11-10(9)12(18)17-13(14)16-11/h2-6H,1H3,(H4,14,15,16,17,18)
InChIKeyZVGJANRRWBZTJO-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.81
Rot. Bonds1

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

2-amino-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135566676) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-amino-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135566676
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-amino-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2c[nH]c3nc(N)[nH]c(=O)c23)cc1
InChIInChI=1S/C13H12N4O/c1-7-2-4-8(5-3-7)9-6-15-11-10(9)12(18)17-13(14)16-11/h2-6H,1H3,(H4,14,15,16,17,18)
InChIKeyZVGJANRRWBZTJO-UHFFFAOYSA-N
XLogP1.81
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135566676) is 2-amino-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Cc1ccc(-c2c[nH]c3nc(N)[nH]c(=O)c23)cc1.
What is the InChIKey of 2-amino-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is ZVGJANRRWBZTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-7-2-4-8(5-3-7)9-6-15-11-10(9)12(18)17-13(14)16-11/h2-6H,1H3,(H4,14,15,16,17,18).
What are the key properties of 2-amino-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 240.27 g/mol, XLogP of 1.81, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135566676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).