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

C22H21N3O4 — CID 146025845

IUPAC1,5-diethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)pyrimidine-2,4-dione
SMILESCCc1c(-c2ccc(Oc3nccc4occc34)cc2C)n(CC)c(=O)[nH]c1=O
InChIInChI=1S/C22H21N3O4/c1-4-15-19(25(5-2)22(27)24-20(15)26)16-7-6-14(12-13(16)3)29-21-17-9-11-28-18(17)8-10-23-21/h6-12H,4-5H2,1-3H3,(H,24,26,27)
InChIKeyOPYSNKCJPQZCJL-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.03
Rot. Bonds5

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

1,5-diethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)pyrimidine-2,4-dione (PubChem CID 146025845) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 1,5-diethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,5-diethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)pyrimidine-2,4-dione
PubChem CID146025845
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name1,5-diethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)pyrimidine-2,4-dione
SMILESCCc1c(-c2ccc(Oc3nccc4occc34)cc2C)n(CC)c(=O)[nH]c1=O
InChIInChI=1S/C22H21N3O4/c1-4-15-19(25(5-2)22(27)24-20(15)26)16-7-6-14(12-13(16)3)29-21-17-9-11-28-18(17)8-10-23-21/h6-12H,4-5H2,1-3H3,(H,24,26,27)
InChIKeyOPYSNKCJPQZCJL-UHFFFAOYSA-N
XLogP4.03
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 1,5-diethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)pyrimidine-2,4-dione (CID 146025845) is 1,5-diethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,5-diethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,5-diethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)pyrimidine-2,4-dione is CCc1c(-c2ccc(Oc3nccc4occc34)cc2C)n(CC)c(=O)[nH]c1=O.
What is the InChIKey of 1,5-diethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is OPYSNKCJPQZCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-4-15-19(25(5-2)22(27)24-20(15)26)16-7-6-14(12-13(16)3)29-21-17-9-11-28-18(17)8-10-23-21/h6-12H,4-5H2,1-3H3,(H,24,26,27).
What are the key properties of 1,5-diethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)pyrimidine-2,4-dione?
1,5-diethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 391.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 146025845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).