(2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine

C12H12FN3O — CID 103395544

IUPAC(2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine
SMILESCOc1ccc(C(N)c2ccncn2)c(F)c1
InChIInChI=1S/C12H12FN3O/c1-17-8-2-3-9(10(13)6-8)12(14)11-4-5-15-7-16-11/h2-7,12H,14H2,1H3
InChIKeyGPLGYDUXAJYIOX-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.67
Rot. Bonds3

About (2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine

(2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine (PubChem CID 103395544) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine
PubChem CID103395544
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name(2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine
SMILESCOc1ccc(C(N)c2ccncn2)c(F)c1
InChIInChI=1S/C12H12FN3O/c1-17-8-2-3-9(10(13)6-8)12(14)11-4-5-15-7-16-11/h2-7,12H,14H2,1H3
InChIKeyGPLGYDUXAJYIOX-UHFFFAOYSA-N
XLogP1.67
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine
CID 103395513
(2-fluoro-4-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine
CID 103395933
(3-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 63989775
(2-fluoro-3-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 82807720
(2,4-dimethoxyphenyl)-pyrimidin-4-ylmethanol
CID 63989129
(2-fluoro-4-methoxyphenyl)-isoquinolin-5-ylmethanamine
CID 81298869
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
(2-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanol
CID 103395508
(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882947
(1R)-2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 130665860
(2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 103397454
(2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561229

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine (CID 103395544) is (2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine is COc1ccc(C(N)c2ccncn2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine?
The InChIKey is GPLGYDUXAJYIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-17-8-2-3-9(10(13)6-8)12(14)11-4-5-15-7-16-11/h2-7,12H,14H2,1H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine?
(2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine has a molecular weight of 233.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine is sourced from PubChem (CID 103395544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).