N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine

C12H13FN4 — CID 104738234

IUPACN-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccncn1)c1ccncc1F
InChIInChI=1S/C12H13FN4/c1-2-16-12(11-4-6-15-8-17-11)9-3-5-14-7-10(9)13/h3-8,12,16H,2H2,1H3
InChIKeyLWINAVZVZIAWMS-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.71
Rot. Bonds4

About N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine

N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine (PubChem CID 104738234) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
PubChem CID104738234
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC NameN-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccncn1)c1ccncc1F
InChIInChI=1S/C12H13FN4/c1-2-16-12(11-4-6-15-8-17-11)9-3-5-14-7-10(9)13/h3-8,12,16H,2H2,1H3
InChIKeyLWINAVZVZIAWMS-UHFFFAOYSA-N
XLogP1.71
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine
CID 105221029
N-[(3-fluoro-4-pyridinyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105181971
N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63987713
N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63988973
N-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine
CID 104738216
N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 104738170
N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 104738570
N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038311
N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 82822811
N-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 104738716
N-[(3-bromo-2,6-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 106942502
N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine
CID 104738240

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine (CID 104738234) is N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine is CCNC(c1ccncn1)c1ccncc1F.
What is the InChIKey of N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine?
The InChIKey is LWINAVZVZIAWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-2-16-12(11-4-6-15-8-17-11)9-3-5-14-7-10(9)13/h3-8,12,16H,2H2,1H3.
What are the key properties of N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine?
N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine has a molecular weight of 232.26 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine is sourced from PubChem (CID 104738234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).