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

C20H18N4O2 — CID 664477

IUPAC1,3-dimethyl-5-phenyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3)n(Cc3ccccn3)cc2n(C)c1=O
InChIInChI=1S/C20H18N4O2/c1-22-16-13-24(12-15-10-6-7-11-21-15)18(14-8-4-3-5-9-14)17(16)19(25)23(2)20(22)26/h3-11,13H,12H2,1-2H3
InChIKeyNBPHNRZLNYAVGM-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.15
Rot. Bonds3

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

1,3-dimethyl-5-phenyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 664477) 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-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-phenyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID664477
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name1,3-dimethyl-5-phenyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3)n(Cc3ccccn3)cc2n(C)c1=O
InChIInChI=1S/C20H18N4O2/c1-22-16-13-24(12-15-10-6-7-11-21-15)18(14-8-4-3-5-9-14)17(16)19(25)23(2)20(22)26/h3-11,13H,12H2,1-2H3
InChIKeyNBPHNRZLNYAVGM-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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Related Compounds

5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 664086
5-(2-chlorophenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 52898566
1,3-dimethyl-5-phenyl-6-(2-phenylethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 2047685
1,3,6-trimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 753688
6-ethyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 663566
5-(4-bromophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 18524051
1,3-dimethyl-5-phenyl-6-(1,2,4-triazol-4-yl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 3236798
5-(3-bromophenyl)-1,3-dimethyl-6-phenacylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 20894933
5-(4-tert-butylphenyl)-1,3-dimethyl-6-propylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 3792827
4-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)benzoic acid
CID 1204961
5-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 16764561
5-(3,4-dimethoxyphenyl)-6-(furan-2-ylmethyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 29140933

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-phenyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-phenyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 664477) is 1,3-dimethyl-5-phenyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-phenyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-phenyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3ccccc3)n(Cc3ccccn3)cc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-phenyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is NBPHNRZLNYAVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-22-16-13-24(12-15-10-6-7-11-21-15)18(14-8-4-3-5-9-14)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-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
1,3-dimethyl-5-phenyl-6-(pyridin-2-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-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 664477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).