N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine

C13H14FN3 — CID 63988973

IUPACN-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1ccncn1
InChIInChI=1S/C13H14FN3/c1-2-16-13(12-7-8-15-9-17-12)10-3-5-11(14)6-4-10/h3-9,13,16H,2H2,1H3
InChIKeyIDNITANYAXXSEW-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.31
Rot. Bonds4

About N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine

N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine (PubChem CID 63988973) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
PubChem CID63988973
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC NameN-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1ccncn1
InChIInChI=1S/C13H14FN3/c1-2-16-13(12-7-8-15-9-17-12)10-3-5-11(14)6-4-10/h3-9,13,16H,2H2,1H3
InChIKeyIDNITANYAXXSEW-UHFFFAOYSA-N
XLogP2.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63987713
N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79712293
N-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 114519422
N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
CID 104738234
N-[pyrimidin-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63987510
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(pyrimidin-4-yl)methyl]ethanamine
CID 63990205
N-[(3-bromo-2,6-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 106942502
N-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine
CID 104542545
2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 63988553
N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine
CID 114728677
N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine
CID 63990208
N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine
CID 81231393

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine?
The IUPAC name of N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine (CID 63988973) is N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine is CCNC(c1ccc(F)cc1)c1ccncn1.
What is the InChIKey of N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine?
The InChIKey is IDNITANYAXXSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-2-16-13(12-7-8-15-9-17-12)10-3-5-11(14)6-4-10/h3-9,13,16H,2H2,1H3.
What are the key properties of N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine?
N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine has a molecular weight of 231.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine is sourced from PubChem (CID 63988973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).