1,3-dimethyl-5,6-diphenylpyrrolo[3,4-d]pyrimidine-2,4-dione

C20H17N3O2 — CID 753691

IUPAC1,3-dimethyl-5,6-diphenylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3)n(-c3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C20H17N3O2/c1-21-16-13-23(15-11-7-4-8-12-15)18(14-9-5-3-6-10-14)17(16)19(24)22(2)20(21)25/h3-13H,1-2H3
InChIKeyPDAZPHHNKAVBCJ-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.69
Rot. Bonds2

About 1,3-dimethyl-5,6-diphenylpyrrolo[3,4-d]pyrimidine-2,4-dione

1,3-dimethyl-5,6-diphenylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 753691) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1,3-dimethyl-5,6-diphenylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5,6-diphenylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID753691
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name1,3-dimethyl-5,6-diphenylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3)n(-c3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C20H17N3O2/c1-21-16-13-23(15-11-7-4-8-12-15)18(14-9-5-3-6-10-14)17(16)19(24)22(2)20(21)25/h3-13H,1-2H3
InChIKeyPDAZPHHNKAVBCJ-UHFFFAOYSA-N
XLogP2.69
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5,6-diphenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5,6-diphenylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 753691) is 1,3-dimethyl-5,6-diphenylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5,6-diphenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5,6-diphenylpyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3ccccc3)n(-c3ccccc3)cc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5,6-diphenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is PDAZPHHNKAVBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-21-16-13-23(15-11-7-4-8-12-15)18(14-9-5-3-6-10-14)17(16)19(24)22(2)20(21)25/h3-13H,1-2H3.
What are the key properties of 1,3-dimethyl-5,6-diphenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
1,3-dimethyl-5,6-diphenylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 331.38 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5,6-diphenylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 753691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).