1-[4-[(2-fluorophenyl)methyl]-6-methoxypyrimidin-2-yl]ethanamine

C14H16FN3O — CID 82666098

IUPAC1-[4-[(2-fluorophenyl)methyl]-6-methoxypyrimidin-2-yl]ethanamine
SMILESCOc1cc(Cc2ccccc2F)nc(C(C)N)n1
InChIInChI=1S/C14H16FN3O/c1-9(16)14-17-11(8-13(18-14)19-2)7-10-5-3-4-6-12(10)15/h3-6,8-9H,7,16H2,1-2H3
InChIKeyGDYVYKOOEOIGFR-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.23
Rot. Bonds4

About 1-[4-[(2-fluorophenyl)methyl]-6-methoxypyrimidin-2-yl]ethanamine

1-[4-[(2-fluorophenyl)methyl]-6-methoxypyrimidin-2-yl]ethanamine (PubChem CID 82666098) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-[4-[(2-fluorophenyl)methyl]-6-methoxypyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[(2-fluorophenyl)methyl]-6-methoxypyrimidin-2-yl]ethanamine
PubChem CID82666098
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name1-[4-[(2-fluorophenyl)methyl]-6-methoxypyrimidin-2-yl]ethanamine
SMILESCOc1cc(Cc2ccccc2F)nc(C(C)N)n1
InChIInChI=1S/C14H16FN3O/c1-9(16)14-17-11(8-13(18-14)19-2)7-10-5-3-4-6-12(10)15/h3-6,8-9H,7,16H2,1-2H3
InChIKeyGDYVYKOOEOIGFR-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine
CID 83851901
4-chloro-6-[(2-fluorophenyl)methyl]-3-methoxypyridazine
CID 117106734
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860
2-(2-fluorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103347996
[2-(2-fluorophenyl)-6-methoxy-4-pyridinyl]methanamine
CID 105490755
2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 62192800
2-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)acetaldehyde
CID 83878785
4-bromo-6-[(2-fluorophenyl)methyl]pyrimidine
CID 121205690
[2-[(2-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 55062115
1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)propan-2-amine
CID 62605724
2-bromo-6-[(2-fluorophenyl)methyl]pyridine
CID 86652414
1-(3-fluoro-6-methoxy-2-pyridinyl)ethanamine
CID 84653773

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluorophenyl)methyl]-6-methoxypyrimidin-2-yl]ethanamine?
The IUPAC name of 1-[4-[(2-fluorophenyl)methyl]-6-methoxypyrimidin-2-yl]ethanamine (CID 82666098) is 1-[4-[(2-fluorophenyl)methyl]-6-methoxypyrimidin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[(2-fluorophenyl)methyl]-6-methoxypyrimidin-2-yl]ethanamine?
The canonical SMILES for 1-[4-[(2-fluorophenyl)methyl]-6-methoxypyrimidin-2-yl]ethanamine is COc1cc(Cc2ccccc2F)nc(C(C)N)n1.
What is the InChIKey of 1-[4-[(2-fluorophenyl)methyl]-6-methoxypyrimidin-2-yl]ethanamine?
The InChIKey is GDYVYKOOEOIGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9(16)14-17-11(8-13(18-14)19-2)7-10-5-3-4-6-12(10)15/h3-6,8-9H,7,16H2,1-2H3.
What are the key properties of 1-[4-[(2-fluorophenyl)methyl]-6-methoxypyrimidin-2-yl]ethanamine?
1-[4-[(2-fluorophenyl)methyl]-6-methoxypyrimidin-2-yl]ethanamine has a molecular weight of 261.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluorophenyl)methyl]-6-methoxypyrimidin-2-yl]ethanamine is sourced from PubChem (CID 82666098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).