6-(2-hydroxyethyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

C17H19N3O3 — CID 664394

IUPAC6-(2-hydroxyethyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CCO)c1
InChIInChI=1S/C17H19N3O3/c1-11-5-4-6-12(9-11)15-14-13(10-20(15)7-8-21)18(2)17(23)19(3)16(14)22/h4-6,9-10,21H,7-8H2,1-3H3
InChIKeyGAUNKTINRGIOSC-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.01
Rot. Bonds3

About 6-(2-hydroxyethyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

6-(2-hydroxyethyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 664394) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID664394
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name6-(2-hydroxyethyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CCO)c1
InChIInChI=1S/C17H19N3O3/c1-11-5-4-6-12(9-11)15-14-13(10-20(15)7-8-21)18(2)17(23)19(3)16(14)22/h4-6,9-10,21H,7-8H2,1-3H3
InChIKeyGAUNKTINRGIOSC-UHFFFAOYSA-N
XLogP1.01
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2-hydroxyethyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 664394) is 6-(2-hydroxyethyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-hydroxyethyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-hydroxyethyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CCO)c1.
What is the InChIKey of 6-(2-hydroxyethyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is GAUNKTINRGIOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-5-4-6-12(9-11)15-14-13(10-20(15)7-8-21)18(2)17(23)19(3)16(14)22/h4-6,9-10,21H,7-8H2,1-3H3.
What are the key properties of 6-(2-hydroxyethyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
6-(2-hydroxyethyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 313.36 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 664394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).