N-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine

C14H16FN3O — CID 103395517

IUPACN-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
SMILESCCNC(c1ncccn1)c1ccc(OC)cc1F
InChIInChI=1S/C14H16FN3O/c1-3-16-13(14-17-7-4-8-18-14)11-6-5-10(19-2)9-12(11)15/h4-9,13,16H,3H2,1-2H3
InChIKeyUQSDWEJCXFYETI-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.32
Rot. Bonds5

About N-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine

N-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine (PubChem CID 103395517) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
PubChem CID103395517
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
SMILESCCNC(c1ncccn1)c1ccc(OC)cc1F
InChIInChI=1S/C14H16FN3O/c1-3-16-13(14-17-7-4-8-18-14)11-6-5-10(19-2)9-12(11)15/h4-9,13,16H,3H2,1-2H3
InChIKeyUQSDWEJCXFYETI-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-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 103395826
N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43561465
N-[(2-fluoro-4-methoxyphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81480508
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 81304832
N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 82769775
(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine
CID 103395513
N-[(2,5-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 43561449
N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103131244
N-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 82873200
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 81304833
N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81304751
N-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine
CID 103396650

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine (CID 103395517) is N-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine is CCNC(c1ncccn1)c1ccc(OC)cc1F.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine?
The InChIKey is UQSDWEJCXFYETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-16-13(14-17-7-4-8-18-14)11-6-5-10(19-2)9-12(11)15/h4-9,13,16H,3H2,1-2H3.
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine?
N-[(2-fluoro-4-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-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine is sourced from PubChem (CID 103395517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).