6-methyl-4-oxo-3-(2-phenoxyethyl)furo[2,3-d]pyrimidine-5-carboxylic acid

C16H14N2O5 — CID 45406557

IUPAC6-methyl-4-oxo-3-(2-phenoxyethyl)furo[2,3-d]pyrimidine-5-carboxylic acid
SMILESCc1oc2ncn(CCOc3ccccc3)c(=O)c2c1C(=O)O
InChIInChI=1S/C16H14N2O5/c1-10-12(16(20)21)13-14(23-10)17-9-18(15(13)19)7-8-22-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,20,21)
InChIKeyYASWFQVTVMWAMB-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.08
Rot. Bonds5

About 6-methyl-4-oxo-3-(2-phenoxyethyl)furo[2,3-d]pyrimidine-5-carboxylic acid

6-methyl-4-oxo-3-(2-phenoxyethyl)furo[2,3-d]pyrimidine-5-carboxylic acid (PubChem CID 45406557) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is 6-methyl-4-oxo-3-(2-phenoxyethyl)furo[2,3-d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-oxo-3-(2-phenoxyethyl)furo[2,3-d]pyrimidine-5-carboxylic acid
PubChem CID45406557
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name6-methyl-4-oxo-3-(2-phenoxyethyl)furo[2,3-d]pyrimidine-5-carboxylic acid
SMILESCc1oc2ncn(CCOc3ccccc3)c(=O)c2c1C(=O)O
InChIInChI=1S/C16H14N2O5/c1-10-12(16(20)21)13-14(23-10)17-9-18(15(13)19)7-8-22-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,20,21)
InChIKeyYASWFQVTVMWAMB-UHFFFAOYSA-N
XLogP2.08
TPSA94.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-3-(2-phenoxyethyl)furo[2,3-d]pyrimidine-5-carboxylic acid?
The IUPAC name of 6-methyl-4-oxo-3-(2-phenoxyethyl)furo[2,3-d]pyrimidine-5-carboxylic acid (CID 45406557) is 6-methyl-4-oxo-3-(2-phenoxyethyl)furo[2,3-d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-methyl-4-oxo-3-(2-phenoxyethyl)furo[2,3-d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-methyl-4-oxo-3-(2-phenoxyethyl)furo[2,3-d]pyrimidine-5-carboxylic acid is Cc1oc2ncn(CCOc3ccccc3)c(=O)c2c1C(=O)O.
What is the InChIKey of 6-methyl-4-oxo-3-(2-phenoxyethyl)furo[2,3-d]pyrimidine-5-carboxylic acid?
The InChIKey is YASWFQVTVMWAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-10-12(16(20)21)13-14(23-10)17-9-18(15(13)19)7-8-22-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,20,21).
What are the key properties of 6-methyl-4-oxo-3-(2-phenoxyethyl)furo[2,3-d]pyrimidine-5-carboxylic acid?
6-methyl-4-oxo-3-(2-phenoxyethyl)furo[2,3-d]pyrimidine-5-carboxylic acid has a molecular weight of 314.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-3-(2-phenoxyethyl)furo[2,3-d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 45406557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).