5-(2,4-dichlorophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione

C19H14Cl2N4O2 — CID 4898383

IUPAC5-(2,4-dichlorophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccc(Cl)cc3Cl)n(-c3ccccn3)cc2n(C)c1=O
InChIInChI=1S/C19H14Cl2N4O2/c1-23-14-10-25(15-5-3-4-8-22-15)17(12-7-6-11(20)9-13(12)21)16(14)18(26)24(2)19(23)27/h3-10H,1-2H3
InChIKeyLUUNZMZDXUEVTC-UHFFFAOYSA-N
MW401.25 g/mol
LogP3.40
Rot. Bonds2

About 5-(2,4-dichlorophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione

5-(2,4-dichlorophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 4898383) has the molecular formula C19H14Cl2N4O2 and a molecular weight of 401.25 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID4898383
Molecular FormulaC19H14Cl2N4O2
Molecular Weight401.25 g/mol
Exact Mass400.05
IUPAC Name5-(2,4-dichlorophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccc(Cl)cc3Cl)n(-c3ccccn3)cc2n(C)c1=O
InChIInChI=1S/C19H14Cl2N4O2/c1-23-14-10-25(15-5-3-4-8-22-15)17(12-7-6-11(20)9-13(12)21)16(14)18(26)24(2)19(23)27/h3-10H,1-2H3
InChIKeyLUUNZMZDXUEVTC-UHFFFAOYSA-N
XLogP3.40
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(2,4-dichlorophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 4898383) is 5-(2,4-dichlorophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(2,4-dichlorophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3ccc(Cl)cc3Cl)n(-c3ccccn3)cc2n(C)c1=O.
What is the InChIKey of 5-(2,4-dichlorophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is LUUNZMZDXUEVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O2/c1-23-14-10-25(15-5-3-4-8-22-15)17(12-7-6-11(20)9-13(12)21)16(14)18(26)24(2)19(23)27/h3-10H,1-2H3.
What are the key properties of 5-(2,4-dichlorophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione?
5-(2,4-dichlorophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 401.25 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 4898383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).