2-(methylamino)-5-phenyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C13H12N4O — CID 121387111

IUPAC2-(methylamino)-5-phenyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCNc1ncc2c(n1)NC(=O)C2c1ccccc1
InChIInChI=1S/C13H12N4O/c1-14-13-15-7-9-10(8-5-3-2-4-6-8)12(18)16-11(9)17-13/h2-7,10H,1H3,(H2,14,15,16,17,18)
InChIKeyKIDSHMNZIYDSTF-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.60
Rot. Bonds2

About 2-(methylamino)-5-phenyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

2-(methylamino)-5-phenyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 121387111) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-(methylamino)-5-phenyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-(methylamino)-5-phenyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID121387111
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-(methylamino)-5-phenyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCNc1ncc2c(n1)NC(=O)C2c1ccccc1
InChIInChI=1S/C13H12N4O/c1-14-13-15-7-9-10(8-5-3-2-4-6-8)12(18)16-11(9)17-13/h2-7,10H,1H3,(H2,14,15,16,17,18)
InChIKeyKIDSHMNZIYDSTF-UHFFFAOYSA-N
XLogP1.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-phenyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-(methylamino)-5-phenyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 121387111) is 2-(methylamino)-5-phenyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-(methylamino)-5-phenyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-(methylamino)-5-phenyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is CNc1ncc2c(n1)NC(=O)C2c1ccccc1.
What is the InChIKey of 2-(methylamino)-5-phenyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is KIDSHMNZIYDSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-14-13-15-7-9-10(8-5-3-2-4-6-8)12(18)16-11(9)17-13/h2-7,10H,1H3,(H2,14,15,16,17,18).
What are the key properties of 2-(methylamino)-5-phenyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
2-(methylamino)-5-phenyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 240.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5-phenyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 121387111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).