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

C15H12FN3O — CID 114734909

IUPAC2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
SMILESNc1cc(-c2cc3cccc(F)c3o2)nc(C2CC2)n1
InChIInChI=1S/C15H12FN3O/c16-10-3-1-2-9-6-12(20-14(9)10)11-7-13(17)19-15(18-11)8-4-5-8/h1-3,6-8H,4-5H2,(H2,17,18,19)
InChIKeyZSEQTOPZLAQXQF-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.49
Rot. Bonds2

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

2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine (PubChem CID 114734909) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
PubChem CID114734909
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
SMILESNc1cc(-c2cc3cccc(F)c3o2)nc(C2CC2)n1
InChIInChI=1S/C15H12FN3O/c16-10-3-1-2-9-6-12(20-14(9)10)11-7-13(17)19-15(18-11)8-4-5-8/h1-3,6-8H,4-5H2,(H2,17,18,19)
InChIKeyZSEQTOPZLAQXQF-UHFFFAOYSA-N
XLogP3.49
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734954
6-(7-fluoro-1-benzofuran-2-yl)-2-(methoxymethyl)pyrimidin-4-amine
CID 114734919
6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 114735030
2-cyclopropyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 80952990
4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine
CID 114734322
3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-amine
CID 114733255
2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine
CID 114734299
[2-(7-fluoro-1-benzofuran-2-yl)-4-pyridinyl]methanamine
CID 115113748
4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine
CID 114734330
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
2-cyclopropyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 107290535

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine (CID 114734909) is 2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine is Nc1cc(-c2cc3cccc(F)c3o2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine?
The InChIKey is ZSEQTOPZLAQXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-10-3-1-2-9-6-12(20-14(9)10)11-7-13(17)19-15(18-11)8-4-5-8/h1-3,6-8H,4-5H2,(H2,17,18,19).
What are the key properties of 2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine?
2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine has a molecular weight of 269.28 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 114734909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).