6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide

C13H12FN3O2 — CID 91816253

IUPAC6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccccc2F)ncn1
InChIInChI=1S/C13H12FN3O2/c1-2-19-12-7-11(15-8-16-12)13(18)17-10-6-4-3-5-9(10)14/h3-8H,2H2,1H3,(H,17,18)
InChIKeyHEACCAYFIMQJDK-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.27
Rot. Bonds4

About 6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide

6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide (PubChem CID 91816253) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide
PubChem CID91816253
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccccc2F)ncn1
InChIInChI=1S/C13H12FN3O2/c1-2-19-12-7-11(15-8-16-12)13(18)17-10-6-4-3-5-9(10)14/h3-8H,2H2,1H3,(H,17,18)
InChIKeyHEACCAYFIMQJDK-UHFFFAOYSA-N
XLogP2.27
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide
CID 121167671
6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 121167635
ethyl 2-[(6-ethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167557
N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide
CID 121167627
N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide
CID 91816313
5-ethoxy-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 146277110
N-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide
CID 121167615
N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354441
4-N-(2-ethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092650
6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 121167580
6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide
CID 121167574
6-ethoxy-N-propylpyrimidine-4-carboxamide
CID 121167565

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide (CID 91816253) is 6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide is CCOc1cc(C(=O)Nc2ccccc2F)ncn1.
What is the InChIKey of 6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is HEACCAYFIMQJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-2-19-12-7-11(15-8-16-12)13(18)17-10-6-4-3-5-9(10)14/h3-8H,2H2,1H3,(H,17,18).
What are the key properties of 6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide?
6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 91816253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).