4-(2,3-dimethoxyphenyl)-6-propyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione

C17H21N3O4 — CID 18580736

IUPAC4-(2,3-dimethoxyphenyl)-6-propyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCCCN1CC2=C(C1=O)C(c1cccc(OC)c1OC)NC(=O)N2
InChIInChI=1S/C17H21N3O4/c1-4-8-20-9-11-13(16(20)21)14(19-17(22)18-11)10-6-5-7-12(23-2)15(10)24-3/h5-7,14H,4,8-9H2,1-3H3,(H2,18,19,22)
InChIKeyLQPBLSRCRLHPLW-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.56
Rot. Bonds5

About 4-(2,3-dimethoxyphenyl)-6-propyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione

4-(2,3-dimethoxyphenyl)-6-propyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 18580736) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-(2,3-dimethoxyphenyl)-6-propyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4-(2,3-dimethoxyphenyl)-6-propyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID18580736
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name4-(2,3-dimethoxyphenyl)-6-propyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCCCN1CC2=C(C1=O)C(c1cccc(OC)c1OC)NC(=O)N2
InChIInChI=1S/C17H21N3O4/c1-4-8-20-9-11-13(16(20)21)14(19-17(22)18-11)10-6-5-7-12(23-2)15(10)24-3/h5-7,14H,4,8-9H2,1-3H3,(H2,18,19,22)
InChIKeyLQPBLSRCRLHPLW-UHFFFAOYSA-N
XLogP1.56
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxyphenyl)-6-propyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 4-(2,3-dimethoxyphenyl)-6-propyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione (CID 18580736) is 4-(2,3-dimethoxyphenyl)-6-propyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 4-(2,3-dimethoxyphenyl)-6-propyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 4-(2,3-dimethoxyphenyl)-6-propyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione is CCCN1CC2=C(C1=O)C(c1cccc(OC)c1OC)NC(=O)N2.
What is the InChIKey of 4-(2,3-dimethoxyphenyl)-6-propyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is LQPBLSRCRLHPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-4-8-20-9-11-13(16(20)21)14(19-17(22)18-11)10-6-5-7-12(23-2)15(10)24-3/h5-7,14H,4,8-9H2,1-3H3,(H2,18,19,22).
What are the key properties of 4-(2,3-dimethoxyphenyl)-6-propyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione?
4-(2,3-dimethoxyphenyl)-6-propyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 331.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyphenyl)-6-propyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 18580736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).