1-methyl-5-phenyl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

C13H11N3O2 — CID 141408853

IUPAC1-methyl-5-phenyl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2c(-c3ccccc3)[nH]cc21
InChIInChI=1S/C13H11N3O2/c1-16-9-7-14-11(8-5-3-2-4-6-8)10(9)12(17)15-13(16)18/h2-7,14H,1H3,(H,15,17,18)
InChIKeyNEVULCDFQRSXEE-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.22
Rot. Bonds1

About 1-methyl-5-phenyl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

1-methyl-5-phenyl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 141408853) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-methyl-5-phenyl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-5-phenyl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID141408853
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name1-methyl-5-phenyl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2c(-c3ccccc3)[nH]cc21
InChIInChI=1S/C13H11N3O2/c1-16-9-7-14-11(8-5-3-2-4-6-8)10(9)12(17)15-13(16)18/h2-7,14H,1H3,(H,15,17,18)
InChIKeyNEVULCDFQRSXEE-UHFFFAOYSA-N
XLogP1.22
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2,4-dioxo-N-(4-phenylphenyl)quinazoline-6-sulfonamide
CID 177374477
3-methyl-2,4-dioxo-6-phenyl-1H-pyrimidine-5-carbonitrile
CID 675286
8-methyl-4-oxido-3-phenylpyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
CID 11065540
3-methyl-5-phenyl-1H-pyrimidine-2,4-dione
CID 4204619
5-methyl-3-phenyl-7H-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione
CID 137126327
1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride
CID 141325245
4-methyl-2,4-benzodiazepine-1,3,5-trione
CID 46706813
8-[(E)-hydrazinylidenemethyl]-4,6-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 13238127
5-methyl-6-phenyl-1,4-dihydropyrazine-2,3-dione
CID 121221963
3-methyl-1,5-dihydroimidazo[4,5-c]pyridine-2,6-dione
CID 154953953
5-bromo-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 114764129
2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 135566498

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenyl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-5-phenyl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 141408853) is 1-methyl-5-phenyl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-5-phenyl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-5-phenyl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)[nH]c(=O)c2c(-c3ccccc3)[nH]cc21.
What is the InChIKey of 1-methyl-5-phenyl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is NEVULCDFQRSXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-16-9-7-14-11(8-5-3-2-4-6-8)10(9)12(17)15-13(16)18/h2-7,14H,1H3,(H,15,17,18).
What are the key properties of 1-methyl-5-phenyl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione?
1-methyl-5-phenyl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 241.25 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenyl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 141408853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).