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

C14H13N3O2 — CID 753672

IUPAC1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cn(-c3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C14H13N3O2/c1-15-12-9-17(10-6-4-3-5-7-10)8-11(12)13(18)16(2)14(15)19/h3-9H,1-2H3
InChIKeyFMBIQRHDCJYRLS-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.03
Rot. Bonds1

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

1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 753672) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID753672
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cn(-c3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C14H13N3O2/c1-15-12-9-17(10-6-4-3-5-7-10)8-11(12)13(18)16(2)14(15)19/h3-9H,1-2H3
InChIKeyFMBIQRHDCJYRLS-UHFFFAOYSA-N
XLogP1.03
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 753672) is 1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)c2cn(-c3ccccc3)cc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is FMBIQRHDCJYRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-15-12-9-17(10-6-4-3-5-7-10)8-11(12)13(18)16(2)14(15)19/h3-9H,1-2H3.
What are the key properties of 1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 255.28 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 753672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).