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

C14H12FN3O2 — CID 114734919

IUPAC6-(7-fluoro-1-benzofuran-2-yl)-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(N)cc(-c2cc3cccc(F)c3o2)n1
InChIInChI=1S/C14H12FN3O2/c1-19-7-13-17-10(6-12(16)18-13)11-5-8-3-2-4-9(15)14(8)20-11/h2-6H,7H2,1H3,(H2,16,17,18)
InChIKeyANPMHRWPMBXNRB-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.76
Rot. Bonds3

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

6-(7-fluoro-1-benzofuran-2-yl)-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 114734919) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 6-(7-fluoro-1-benzofuran-2-yl)-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(7-fluoro-1-benzofuran-2-yl)-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID114734919
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name6-(7-fluoro-1-benzofuran-2-yl)-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(N)cc(-c2cc3cccc(F)c3o2)n1
InChIInChI=1S/C14H12FN3O2/c1-19-7-13-17-10(6-12(16)18-13)11-5-8-3-2-4-9(15)14(8)20-11/h2-6H,7H2,1H3,(H2,16,17,18)
InChIKeyANPMHRWPMBXNRB-UHFFFAOYSA-N
XLogP2.76
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734954
2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734909
4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine
CID 114734330
6-(2-fluorophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine
CID 113401710
4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine
CID 114734322
2-(methoxymethyl)-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
CID 103341838
[2-(7-fluoro-1-benzofuran-2-yl)-4-pyridinyl]methanamine
CID 115113748
6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine
CID 114734957
5-(7-fluoro-1-benzofuran-2-yl)-3-methylpyridin-2-amine
CID 114731979
[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methanamine
CID 114731985
2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine
CID 114734299
6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine
CID 114734949

Frequently Asked Questions

What is the IUPAC name of 6-(7-fluoro-1-benzofuran-2-yl)-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-(7-fluoro-1-benzofuran-2-yl)-2-(methoxymethyl)pyrimidin-4-amine (CID 114734919) is 6-(7-fluoro-1-benzofuran-2-yl)-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(7-fluoro-1-benzofuran-2-yl)-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(7-fluoro-1-benzofuran-2-yl)-2-(methoxymethyl)pyrimidin-4-amine is COCc1nc(N)cc(-c2cc3cccc(F)c3o2)n1.
What is the InChIKey of 6-(7-fluoro-1-benzofuran-2-yl)-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is ANPMHRWPMBXNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c1-19-7-13-17-10(6-12(16)18-13)11-5-8-3-2-4-9(15)14(8)20-11/h2-6H,7H2,1H3,(H2,16,17,18).
What are the key properties of 6-(7-fluoro-1-benzofuran-2-yl)-2-(methoxymethyl)pyrimidin-4-amine?
6-(7-fluoro-1-benzofuran-2-yl)-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 273.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-fluoro-1-benzofuran-2-yl)-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 114734919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).