(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine

C14H12FN3O — CID 114730572

IUPAC(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine
SMILESCc1nccc(C(N)c2cc3cccc(F)c3o2)n1
InChIInChI=1S/C14H12FN3O/c1-8-17-6-5-11(18-8)13(16)12-7-9-3-2-4-10(15)14(9)19-12/h2-7,13H,16H2,1H3
InChIKeyLVXHPERKHMDSKM-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.72
Rot. Bonds2

About (7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine

(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine (PubChem CID 114730572) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine
PubChem CID114730572
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine
SMILESCc1nccc(C(N)c2cc3cccc(F)c3o2)n1
InChIInChI=1S/C14H12FN3O/c1-8-17-6-5-11(18-8)13(16)12-7-9-3-2-4-10(15)14(9)19-12/h2-7,13H,16H2,1H3
InChIKeyLVXHPERKHMDSKM-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530464
(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047575
(3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105186511
(4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 114731507
(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 112614615
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 114728621
(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine
CID 105047479
(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 106858732
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
1-(7-fluoro-1-benzofuran-2-yl)-3-pyridin-2-ylpropan-1-amine
CID 105186531
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine (CID 114730572) is (7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine is Cc1nccc(C(N)c2cc3cccc(F)c3o2)n1.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine?
The InChIKey is LVXHPERKHMDSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-8-17-6-5-11(18-8)13(16)12-7-9-3-2-4-10(15)14(9)19-12/h2-7,13H,16H2,1H3.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine?
(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine has a molecular weight of 257.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 114730572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).