6-(2,5-dimethoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione

C16H17N3O4 — CID 665200

IUPAC6-(2,5-dimethoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCOc1ccc(OC)c(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)c1
InChIInChI=1S/C16H17N3O4/c1-17-13-9-19(8-11(13)15(20)18(2)16(17)21)12-7-10(22-3)5-6-14(12)23-4/h5-9H,1-4H3
InChIKeyXBMCMLVGAYZFJU-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.05
Rot. Bonds3

About 6-(2,5-dimethoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione

6-(2,5-dimethoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 665200) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID665200
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name6-(2,5-dimethoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCOc1ccc(OC)c(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)c1
InChIInChI=1S/C16H17N3O4/c1-17-13-9-19(8-11(13)15(20)18(2)16(17)21)12-7-10(22-3)5-6-14(12)23-4/h5-9H,1-4H3
InChIKeyXBMCMLVGAYZFJU-UHFFFAOYSA-N
XLogP1.05
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-isobutyl-6-(4-methoxybenzyl)-3-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 10246701
6-(2,5-dimethoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 888493
6-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 663983
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 665179
N-(2,5-diethoxyphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
CID 3242130
6-[(2-Methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 10042947
6-[(3-Methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 10042948
6-[(2,4-Dimethoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 10067815
6-[(4-Methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 10252698
6-[(4-Butoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 10385290
6-[(3-Iodo-4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 10412274
6-[(3,4-Dimethoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 10429301

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 665200) is 6-(2,5-dimethoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is COc1ccc(OC)c(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is XBMCMLVGAYZFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-17-13-9-19(8-11(13)15(20)18(2)16(17)21)12-7-10(22-3)5-6-14(12)23-4/h5-9H,1-4H3.
What are the key properties of 6-(2,5-dimethoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
6-(2,5-dimethoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 315.33 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 665200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).