N-[2-(4-fluorophenoxy)ethyl]-N,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

C17H16FN3O4 — CID 31793558

IUPACN-[2-(4-fluorophenoxy)ethyl]-N,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O4/c1-10-13(14-15(22)19-9-20-16(14)25-10)17(23)21(2)7-8-24-12-5-3-11(18)4-6-12/h3-6,9H,7-8H2,1-2H3,(H,19,20,22)
InChIKeyVMKNBKCNGLBIQC-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.11
Rot. Bonds5

About N-[2-(4-fluorophenoxy)ethyl]-N,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

N-[2-(4-fluorophenoxy)ethyl]-N,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 31793558) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-N,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-N,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID31793558
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-N,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O4/c1-10-13(14-15(22)19-9-20-16(14)25-10)17(23)21(2)7-8-24-12-5-3-11(18)4-6-12/h3-6,9H,7-8H2,1-2H3,(H,19,20,22)
InChIKeyVMKNBKCNGLBIQC-UHFFFAOYSA-N
XLogP2.11
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (CID 31793558) is N-[2-(4-fluorophenoxy)ethyl]-N,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-N,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-N,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2nc[nH]c(=O)c2c1C(=O)N(C)CCOc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-N,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is VMKNBKCNGLBIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4/c1-10-13(14-15(22)19-9-20-16(14)25-10)17(23)21(2)7-8-24-12-5-3-11(18)4-6-12/h3-6,9H,7-8H2,1-2H3,(H,19,20,22).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-N,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
N-[2-(4-fluorophenoxy)ethyl]-N,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 345.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-N,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 31793558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).