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

C15H15N3O3 — CID 665271

IUPAC6-(3-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCOc1cccc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)c1
InChIInChI=1S/C15H15N3O3/c1-16-13-9-18(10-5-4-6-11(7-10)21-3)8-12(13)14(19)17(2)15(16)20/h4-9H,1-3H3
InChIKeyJFCUIBUTWMDABO-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.04
Rot. Bonds2

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

6-(3-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 665271) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID665271
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name6-(3-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCOc1cccc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)c1
InChIInChI=1S/C15H15N3O3/c1-16-13-9-18(10-5-4-6-11(7-10)21-3)8-12(13)14(19)17(2)15(16)20/h4-9H,1-3H3
InChIKeyJFCUIBUTWMDABO-UHFFFAOYSA-N
XLogP1.04
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 663983
5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 664086
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
6-(2,5-dimethoxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 665200
2-(3-methoxyphenyl)-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
CID 1263476
5-(4-Methoxyphenyl)-1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 661066
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-Hydroxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 10336560

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(3-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 665271) is 6-(3-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is COc1cccc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is JFCUIBUTWMDABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-16-13-9-18(10-5-4-6-11(7-10)21-3)8-12(13)14(19)17(2)15(16)20/h4-9H,1-3H3.
What are the key properties of 6-(3-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
6-(3-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 285.30 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 665271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).