N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine

C14H16FN3O — CID 82769775

IUPACN-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
SMILESCCNC(c1ncccn1)c1cc(F)ccc1OC
InChIInChI=1S/C14H16FN3O/c1-3-16-13(14-17-7-4-8-18-14)11-9-10(15)5-6-12(11)19-2/h4-9,13,16H,3H2,1-2H3
InChIKeyFGEMGEYQMYYTRP-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.32
Rot. Bonds5

About N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine

N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine (PubChem CID 82769775) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
PubChem CID82769775
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
SMILESCCNC(c1ncccn1)c1cc(F)ccc1OC
InChIInChI=1S/C14H16FN3O/c1-3-16-13(14-17-7-4-8-18-14)11-9-10(15)5-6-12(11)19-2/h4-9,13,16H,3H2,1-2H3
InChIKeyFGEMGEYQMYYTRP-UHFFFAOYSA-N
XLogP2.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethyl]ethanamine
CID 82770974
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 82769619
N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 82769634
N-[(5-fluoro-2-methoxyphenyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 82769949
N-[(5-fluoro-2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 82769072
N-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 107503890
N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 81267028
N-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 103395517
N-[(5-fluoro-2-methoxyphenyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105176560
N-[(5-fluoro-2-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105176637
N-[(5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 43492196
N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 105176495

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine (CID 82769775) is N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine is CCNC(c1ncccn1)c1cc(F)ccc1OC.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine?
The InChIKey is FGEMGEYQMYYTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-16-13(14-17-7-4-8-18-14)11-9-10(15)5-6-12(11)19-2/h4-9,13,16H,3H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine?
N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine has a molecular weight of 261.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine is sourced from PubChem (CID 82769775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).