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

C12H12FN3O — CID 103395513

IUPAC(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine
SMILESCOc1ccc(C(N)c2ncccn2)c(F)c1
InChIInChI=1S/C12H12FN3O/c1-17-8-3-4-9(10(13)7-8)11(14)12-15-5-2-6-16-12/h2-7,11H,14H2,1H3
InChIKeyFNJNXEFIGVSQKI-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.67
Rot. Bonds3

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

(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine (PubChem CID 103395513) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine
PubChem CID103395513
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine
SMILESCOc1ccc(C(N)c2ncccn2)c(F)c1
InChIInChI=1S/C12H12FN3O/c1-17-8-3-4-9(10(13)7-8)11(14)12-15-5-2-6-16-12/h2-7,11H,14H2,1H3
InChIKeyFNJNXEFIGVSQKI-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)-phenylmethanamine
CID 43561220
(2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 103395544
N-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 103395517
(2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561193
(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-fluoro-4-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine
CID 103395933
(S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171200089
1-(2-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
CID 81304813
(2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561229
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 102882564
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561246

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine (CID 103395513) is (2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine is COc1ccc(C(N)c2ncccn2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine?
The InChIKey is FNJNXEFIGVSQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-17-8-3-4-9(10(13)7-8)11(14)12-15-5-2-6-16-12/h2-7,11H,14H2,1H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine?
(2-fluoro-4-methoxyphenyl)-pyrimidin-2-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-2-ylmethanamine is sourced from PubChem (CID 103395513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).