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

C20H26N4O3 — CID 4971237

IUPAC6-[3-(dimethylamino)propyl]-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CCCN(C)C)cc1
InChIInChI=1S/C20H26N4O3/c1-21(2)11-6-12-24-13-16-17(19(25)23(4)20(26)22(16)3)18(24)14-7-9-15(27-5)10-8-14/h7-10,13H,6,11-12H2,1-5H3
InChIKeyKYMHYUQKTOCRAF-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.67
Rot. Bonds6

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

6-[3-(dimethylamino)propyl]-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 4971237) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propyl]-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-(dimethylamino)propyl]-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID4971237
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name6-[3-(dimethylamino)propyl]-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CCCN(C)C)cc1
InChIInChI=1S/C20H26N4O3/c1-21(2)11-6-12-24-13-16-17(19(25)23(4)20(26)22(16)3)18(24)14-7-9-15(27-5)10-8-14/h7-10,13H,6,11-12H2,1-5H3
InChIKeyKYMHYUQKTOCRAF-UHFFFAOYSA-N
XLogP1.67
TPSA61.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propyl]-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[3-(dimethylamino)propyl]-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 4971237) is 6-[3-(dimethylamino)propyl]-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-(dimethylamino)propyl]-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[3-(dimethylamino)propyl]-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CCCN(C)C)cc1.
What is the InChIKey of 6-[3-(dimethylamino)propyl]-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is KYMHYUQKTOCRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-21(2)11-6-12-24-13-16-17(19(25)23(4)20(26)22(16)3)18(24)14-7-9-15(27-5)10-8-14/h7-10,13H,6,11-12H2,1-5H3.
What are the key properties of 6-[3-(dimethylamino)propyl]-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
6-[3-(dimethylamino)propyl]-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 370.45 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propyl]-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 4971237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).