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

C20H18N4O2 — CID 664231

IUPAC1,3-dimethyl-5-phenyl-6-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3)n(Cc3cccnc3)cc2n(C)c1=O
InChIInChI=1S/C20H18N4O2/c1-22-16-13-24(12-14-7-6-10-21-11-14)18(15-8-4-3-5-9-15)17(16)19(25)23(2)20(22)26/h3-11,13H,12H2,1-2H3
InChIKeyCVNOOQRXKCWLOK-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.15
Rot. Bonds3

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

1,3-dimethyl-5-phenyl-6-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 664231) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1,3-dimethyl-5-phenyl-6-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-phenyl-6-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID664231
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name1,3-dimethyl-5-phenyl-6-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3)n(Cc3cccnc3)cc2n(C)c1=O
InChIInChI=1S/C20H18N4O2/c1-22-16-13-24(12-14-7-6-10-21-11-14)18(15-8-4-3-5-9-15)17(16)19(25)23(2)20(22)26/h3-11,13H,12H2,1-2H3
InChIKeyCVNOOQRXKCWLOK-UHFFFAOYSA-N
XLogP2.15
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-phenyl-6-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-phenyl-6-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 664231) is 1,3-dimethyl-5-phenyl-6-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-phenyl-6-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-phenyl-6-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3ccccc3)n(Cc3cccnc3)cc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-phenyl-6-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is CVNOOQRXKCWLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-22-16-13-24(12-14-7-6-10-21-11-14)18(15-8-4-3-5-9-15)17(16)19(25)23(2)20(22)26/h3-11,13H,12H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-phenyl-6-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
1,3-dimethyl-5-phenyl-6-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 346.39 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-phenyl-6-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 664231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).