1,3,6-trimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione

C15H15N3O2 — CID 753688

IUPAC1,3,6-trimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1cc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H15N3O2/c1-16-9-11-12(13(16)10-7-5-4-6-8-10)14(19)18(3)15(20)17(11)2/h4-9H,1-3H3
InChIKeyVHKYVQQZMYGYAJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.24
Rot. Bonds1

About 1,3,6-trimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione

1,3,6-trimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 753688) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1,3,6-trimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,6-trimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID753688
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1,3,6-trimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1cc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H15N3O2/c1-16-9-11-12(13(16)10-7-5-4-6-8-10)14(19)18(3)15(20)17(11)2/h4-9H,1-3H3
InChIKeyVHKYVQQZMYGYAJ-UHFFFAOYSA-N
XLogP1.24
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3,6-trimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3,6-trimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 753688) is 1,3,6-trimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,6-trimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3,6-trimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1cc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 1,3,6-trimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is VHKYVQQZMYGYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-16-9-11-12(13(16)10-7-5-4-6-8-10)14(19)18(3)15(20)17(11)2/h4-9H,1-3H3.
What are the key properties of 1,3,6-trimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
1,3,6-trimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 269.30 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 753688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).