5-(2-chlorophenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

C20H17ClN4O2 — CID 52898566

IUPAC5-(2-chlorophenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3Cl)n(Cc3ccccn3)cc2n(C)c1=O
InChIInChI=1S/C20H17ClN4O2/c1-23-16-12-25(11-13-7-5-6-10-22-13)18(14-8-3-4-9-15(14)21)17(16)19(26)24(2)20(23)27/h3-10,12H,11H2,1-2H3
InChIKeyFHYNONMARZJDED-UHFFFAOYSA-N
MW380.84 g/mol
LogP2.80
Rot. Bonds3

About 5-(2-chlorophenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

5-(2-chlorophenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 52898566) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID52898566
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name5-(2-chlorophenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3Cl)n(Cc3ccccn3)cc2n(C)c1=O
InChIInChI=1S/C20H17ClN4O2/c1-23-16-12-25(11-13-7-5-6-10-22-13)18(14-8-3-4-9-15(14)21)17(16)19(26)24(2)20(23)27/h3-10,12H,11H2,1-2H3
InChIKeyFHYNONMARZJDED-UHFFFAOYSA-N
XLogP2.80
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(2-chlorophenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 52898566) is 5-(2-chlorophenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-chlorophenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-chlorophenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3ccccc3Cl)n(Cc3ccccn3)cc2n(C)c1=O.
What is the InChIKey of 5-(2-chlorophenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is FHYNONMARZJDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-23-16-12-25(11-13-7-5-6-10-22-13)18(14-8-3-4-9-15(14)21)17(16)19(26)24(2)20(23)27/h3-10,12H,11H2,1-2H3.
What are the key properties of 5-(2-chlorophenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
5-(2-chlorophenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 380.84 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 52898566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).