2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine

C14H12FN3O — CID 114734954

IUPAC2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
SMILESCCc1nc(N)cc(-c2cc3cccc(F)c3o2)n1
InChIInChI=1S/C14H12FN3O/c1-2-13-17-10(7-12(16)18-13)11-6-8-4-3-5-9(15)14(8)19-11/h3-7H,2H2,1H3,(H2,16,17,18)
InChIKeyBJCFBCBYHQRTML-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.17
Rot. Bonds2

About 2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine

2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine (PubChem CID 114734954) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
PubChem CID114734954
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
SMILESCCc1nc(N)cc(-c2cc3cccc(F)c3o2)n1
InChIInChI=1S/C14H12FN3O/c1-2-13-17-10(7-12(16)18-13)11-6-8-4-3-5-9(15)14(8)19-11/h3-7H,2H2,1H3,(H2,16,17,18)
InChIKeyBJCFBCBYHQRTML-UHFFFAOYSA-N
XLogP3.17
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(7-fluoro-1-benzofuran-2-yl)-2-(methoxymethyl)pyrimidin-4-amine
CID 114734919
4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine
CID 114734330
2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734909
4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine
CID 114734322
6-(3,4-difluorophenyl)-2-ethylpyrimidin-4-amine
CID 80936673
[2-(7-fluoro-1-benzofuran-2-yl)-4-pyridinyl]methanamine
CID 115113748
6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine
CID 114734949
6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine
CID 114734785
5-(7-fluoro-1-benzofuran-2-yl)-3-methylpyridin-2-amine
CID 114731979
6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine
CID 114734957
[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methanamine
CID 114731985
2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine
CID 114734299

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine (CID 114734954) is 2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine is CCc1nc(N)cc(-c2cc3cccc(F)c3o2)n1.
What is the InChIKey of 2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine?
The InChIKey is BJCFBCBYHQRTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-2-13-17-10(7-12(16)18-13)11-6-8-4-3-5-9(15)14(8)19-11/h3-7H,2H2,1H3,(H2,16,17,18).
What are the key properties of 2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine?
2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine has a molecular weight of 257.27 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 114734954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).