N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine

C15H14FN3O — CID 114728677

IUPACN-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccncn1)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H14FN3O/c1-2-18-14(12-6-7-17-9-19-12)13-8-10-4-3-5-11(16)15(10)20-13/h3-9,14,18H,2H2,1H3
InChIKeyGUQIHCNOWWMSAG-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.06
Rot. Bonds4

About N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine

N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine (PubChem CID 114728677) has the molecular formula C15H14FN3O and a molecular weight of 271.29 g/mol. Its IUPAC name is N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine
PubChem CID114728677
Molecular FormulaC15H14FN3O
Molecular Weight271.29 g/mol
Exact Mass271.11
IUPAC NameN-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccncn1)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H14FN3O/c1-2-18-14(12-6-7-17-9-19-12)13-8-10-4-3-5-11(16)15(10)20-13/h3-9,14,18H,2H2,1H3
InChIKeyGUQIHCNOWWMSAG-UHFFFAOYSA-N
XLogP3.06
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine with MolForge

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Related Compounds

N-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 114728628
N-[(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 114730249
N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine
CID 114730743
N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63987713
N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923898
N-[(4-ethylthiadiazol-5-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 105186543
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine
CID 114728068
N-[(2,5-dibromothiophen-3-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 107969207
N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
CID 104738234
N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63988973
[(3-ethyl-4-pyridinyl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105262308
N-[(7-fluoro-1-benzofuran-2-yl)-(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105186506

Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine?
The IUPAC name of N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine (CID 114728677) is N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine.
What is the SMILES notation for N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine?
The canonical SMILES for N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine is CCNC(c1ccncn1)c1cc2cccc(F)c2o1.
What is the InChIKey of N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine?
The InChIKey is GUQIHCNOWWMSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-2-18-14(12-6-7-17-9-19-12)13-8-10-4-3-5-11(16)15(10)20-13/h3-9,14,18H,2H2,1H3.
What are the key properties of N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine?
N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine has a molecular weight of 271.29 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine is sourced from PubChem (CID 114728677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).