5-hydroxy-6-(4-methoxyphenyl)-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione

C19H23N3O4 — CID 44588473

IUPAC5-hydroxy-6-(4-methoxyphenyl)-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2c(cc(-c3ccc(OC)cc3)n2O)n(CCC)c1=O
InChIInChI=1S/C19H23N3O4/c1-4-10-20-16-12-15(13-6-8-14(26-3)9-7-13)22(25)17(16)18(23)21(11-5-2)19(20)24/h6-9,12,25H,4-5,10-11H2,1-3H3
InChIKeyQPSOLTWXZHKGRP-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.70
Rot. Bonds6

About 5-hydroxy-6-(4-methoxyphenyl)-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione

5-hydroxy-6-(4-methoxyphenyl)-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 44588473) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-hydroxy-6-(4-methoxyphenyl)-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-hydroxy-6-(4-methoxyphenyl)-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID44588473
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name5-hydroxy-6-(4-methoxyphenyl)-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2c(cc(-c3ccc(OC)cc3)n2O)n(CCC)c1=O
InChIInChI=1S/C19H23N3O4/c1-4-10-20-16-12-15(13-6-8-14(26-3)9-7-13)22(25)17(16)18(23)21(11-5-2)19(20)24/h6-9,12,25H,4-5,10-11H2,1-3H3
InChIKeyQPSOLTWXZHKGRP-UHFFFAOYSA-N
XLogP2.70
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-(4-methoxyphenyl)-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 5-hydroxy-6-(4-methoxyphenyl)-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione (CID 44588473) is 5-hydroxy-6-(4-methoxyphenyl)-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-hydroxy-6-(4-methoxyphenyl)-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-hydroxy-6-(4-methoxyphenyl)-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione is CCCn1c(=O)c2c(cc(-c3ccc(OC)cc3)n2O)n(CCC)c1=O.
What is the InChIKey of 5-hydroxy-6-(4-methoxyphenyl)-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is QPSOLTWXZHKGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-4-10-20-16-12-15(13-6-8-14(26-3)9-7-13)22(25)17(16)18(23)21(11-5-2)19(20)24/h6-9,12,25H,4-5,10-11H2,1-3H3.
What are the key properties of 5-hydroxy-6-(4-methoxyphenyl)-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione?
5-hydroxy-6-(4-methoxyphenyl)-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 357.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-(4-methoxyphenyl)-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 44588473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).