6-[(4-methoxyphenyl)methyl]-4-(4-propoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione

C23H25N3O4 — CID 42944980

IUPAC6-[(4-methoxyphenyl)methyl]-4-(4-propoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCCCOc1ccc(C2NC(=O)NC3=C2C(=O)N(Cc2ccc(OC)cc2)C3)cc1
InChIInChI=1S/C23H25N3O4/c1-3-12-30-18-10-6-16(7-11-18)21-20-19(24-23(28)25-21)14-26(22(20)27)13-15-4-8-17(29-2)9-5-15/h4-11,21H,3,12-14H2,1-2H3,(H2,24,25,28)
InChIKeyCLBMDJSOCIJZHW-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.13
Rot. Bonds7

About 6-[(4-methoxyphenyl)methyl]-4-(4-propoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione

6-[(4-methoxyphenyl)methyl]-4-(4-propoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 42944980) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-4-(4-propoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-4-(4-propoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID42944980
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name6-[(4-methoxyphenyl)methyl]-4-(4-propoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCCCOc1ccc(C2NC(=O)NC3=C2C(=O)N(Cc2ccc(OC)cc2)C3)cc1
InChIInChI=1S/C23H25N3O4/c1-3-12-30-18-10-6-16(7-11-18)21-20-19(24-23(28)25-21)14-26(22(20)27)13-15-4-8-17(29-2)9-5-15/h4-11,21H,3,12-14H2,1-2H3,(H2,24,25,28)
InChIKeyCLBMDJSOCIJZHW-UHFFFAOYSA-N
XLogP3.13
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]-4-(4-propoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-4-(4-propoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione (CID 42944980) is 6-[(4-methoxyphenyl)methyl]-4-(4-propoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-4-(4-propoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-4-(4-propoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione is CCCOc1ccc(C2NC(=O)NC3=C2C(=O)N(Cc2ccc(OC)cc2)C3)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-4-(4-propoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is CLBMDJSOCIJZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-3-12-30-18-10-6-16(7-11-18)21-20-19(24-23(28)25-21)14-26(22(20)27)13-15-4-8-17(29-2)9-5-15/h4-11,21H,3,12-14H2,1-2H3,(H2,24,25,28).
What are the key properties of 6-[(4-methoxyphenyl)methyl]-4-(4-propoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione?
6-[(4-methoxyphenyl)methyl]-4-(4-propoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 407.47 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-4-(4-propoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 42944980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).