3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one

C26H29N3O6 — CID 137197893

IUPAC3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one
SMILESCCOCc1nc(O)c(C(=O)N2CC[C@H](c3ccccc3)C2)c(=O)n1-c1c(OC)cccc1OC
InChIInChI=1S/C26H29N3O6/c1-4-35-16-21-27-24(30)22(25(31)28-14-13-18(15-28)17-9-6-5-7-10-17)26(32)29(21)23-19(33-2)11-8-12-20(23)34-3/h5-12,18,30H,4,13-16H2,1-3H3/t18-/m0/s1
InChIKeyALDWNVBPHVZZIQ-SFHVURJKSA-N
MW479.53 g/mol
LogP3.12
Rot. Bonds8

About 3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one

3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one (PubChem CID 137197893) has the molecular formula C26H29N3O6 and a molecular weight of 479.53 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one
PubChem CID137197893
Molecular FormulaC26H29N3O6
Molecular Weight479.53 g/mol
Exact Mass479.21
IUPAC Name3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one
SMILESCCOCc1nc(O)c(C(=O)N2CC[C@H](c3ccccc3)C2)c(=O)n1-c1c(OC)cccc1OC
InChIInChI=1S/C26H29N3O6/c1-4-35-16-21-27-24(30)22(25(31)28-14-13-18(15-28)17-9-6-5-7-10-17)26(32)29(21)23-19(33-2)11-8-12-20(23)34-3/h5-12,18,30H,4,13-16H2,1-3H3/t18-/m0/s1
InChIKeyALDWNVBPHVZZIQ-SFHVURJKSA-N
XLogP3.12
TPSA103.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one (CID 137197893) is 3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one is CCOCc1nc(O)c(C(=O)N2CC[C@H](c3ccccc3)C2)c(=O)n1-c1c(OC)cccc1OC.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one?
The InChIKey is ALDWNVBPHVZZIQ-SFHVURJKSA-N. The full InChI is InChI=1S/C26H29N3O6/c1-4-35-16-21-27-24(30)22(25(31)28-14-13-18(15-28)17-9-6-5-7-10-17)26(32)29(21)23-19(33-2)11-8-12-20(23)34-3/h5-12,18,30H,4,13-16H2,1-3H3/t18-/m0/s1.
What are the key properties of 3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one?
3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one has a molecular weight of 479.53 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one is sourced from PubChem (CID 137197893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).