1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine

C14H12FN3O — CID 114727953

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
SMILESCNC(c1ncccn1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H12FN3O/c1-16-13(14-17-5-2-6-18-14)12-8-9-7-10(15)3-4-11(9)19-12/h2-8,13,16H,1H3
InChIKeyPQRFXGALGWFLHA-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.67
Rot. Bonds3

About 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine

1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine (PubChem CID 114727953) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
PubChem CID114727953
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
SMILESCNC(c1ncccn1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H12FN3O/c1-16-13(14-17-5-2-6-18-14)12-8-9-7-10(15)3-4-11(9)19-12/h2-8,13,16H,1H3
InChIKeyPQRFXGALGWFLHA-UHFFFAOYSA-N
XLogP2.67
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 114730648
1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114730411
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 114727892
1-(2,3-dimethylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105045995
1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105046105
1-(3-chloro-4-pyridinyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105185873
[(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203566
1-(2-bromo-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 107985443
1-(4-bromothiophen-2-yl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 114728766
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 105046222
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine
CID 105185794
1-(3-bromo-5-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105046064

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine (CID 114727953) is 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine is CNC(c1ncccn1)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The InChIKey is PQRFXGALGWFLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-16-13(14-17-5-2-6-18-14)12-8-9-7-10(15)3-4-11(9)19-12/h2-8,13,16H,1H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine?
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine has a molecular weight of 257.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine is sourced from PubChem (CID 114727953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).