3-ethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione

C22H21N3O4 — CID 146025836

IUPAC3-ethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione
SMILESCCn1c(=O)c(C)c(-c2ccc(Oc3nccc4occc34)cc2C)n(C)c1=O
InChIInChI=1S/C22H21N3O4/c1-5-25-21(26)14(3)19(24(4)22(25)27)16-7-6-15(12-13(16)2)29-20-17-9-11-28-18(17)8-10-23-20/h6-12H,5H2,1-4H3
InChIKeyRRNVHIXLFKQOOC-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.78
Rot. Bonds4

About 3-ethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione

3-ethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione (PubChem CID 146025836) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-ethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione
PubChem CID146025836
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name3-ethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione
SMILESCCn1c(=O)c(C)c(-c2ccc(Oc3nccc4occc34)cc2C)n(C)c1=O
InChIInChI=1S/C22H21N3O4/c1-5-25-21(26)14(3)19(24(4)22(25)27)16-7-6-15(12-13(16)2)29-20-17-9-11-28-18(17)8-10-23-20/h6-12H,5H2,1-4H3
InChIKeyRRNVHIXLFKQOOC-UHFFFAOYSA-N
XLogP3.78
TPSA79.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione (CID 146025836) is 3-ethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione is CCn1c(=O)c(C)c(-c2ccc(Oc3nccc4occc34)cc2C)n(C)c1=O.
What is the InChIKey of 3-ethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione?
The InChIKey is RRNVHIXLFKQOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-5-25-21(26)14(3)19(24(4)22(25)27)16-7-6-15(12-13(16)2)29-20-17-9-11-28-18(17)8-10-23-20/h6-12H,5H2,1-4H3.
What are the key properties of 3-ethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione?
3-ethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione has a molecular weight of 391.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 146025836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).