2-[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]ethanamine

C14H16FN3O — CID 107923089

IUPAC2-[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]ethanamine
SMILESCOc1cc(-c2nc(C)cc(CCN)n2)ccc1F
InChIInChI=1S/C14H16FN3O/c1-9-7-11(5-6-16)18-14(17-9)10-3-4-12(15)13(8-10)19-2/h3-4,7-8H,5-6,16H2,1-2H3
InChIKeyKLQKNZJLMCWBDH-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.10
Rot. Bonds4

About 2-[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]ethanamine

2-[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]ethanamine (PubChem CID 107923089) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]ethanamine
PubChem CID107923089
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]ethanamine
SMILESCOc1cc(-c2nc(C)cc(CCN)n2)ccc1F
InChIInChI=1S/C14H16FN3O/c1-9-7-11(5-6-16)18-14(17-9)10-3-4-12(15)13(8-10)19-2/h3-4,7-8H,5-6,16H2,1-2H3
InChIKeyKLQKNZJLMCWBDH-UHFFFAOYSA-N
XLogP2.10
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol
CID 107923081
2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]ethanamine
CID 62745037
N-[[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 107923063
2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride
CID 82022820
2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidine-4-carbaldehyde
CID 107923046
2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine
CID 28904875
2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 107922852
2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine;hydrochloride
CID 82022817
[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107922458
3-[3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 107923108
4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine
CID 107922643
5-(aminomethyl)-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 114016280

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]ethanamine (CID 107923089) is 2-[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]ethanamine is COc1cc(-c2nc(C)cc(CCN)n2)ccc1F.
What is the InChIKey of 2-[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]ethanamine?
The InChIKey is KLQKNZJLMCWBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9-7-11(5-6-16)18-14(17-9)10-3-4-12(15)13(8-10)19-2/h3-4,7-8H,5-6,16H2,1-2H3.
What are the key properties of 2-[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]ethanamine?
2-[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]ethanamine has a molecular weight of 261.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]ethanamine is sourced from PubChem (CID 107923089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).