2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine

C13H13F2N3O — CID 116897723

IUPAC2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine
SMILESCOc1cc(F)c(-c2ccnc(CCN)n2)cc1F
InChIInChI=1S/C13H13F2N3O/c1-19-12-7-9(14)8(6-10(12)15)11-3-5-17-13(18-11)2-4-16/h3,5-7H,2,4,16H2,1H3
InChIKeyUSIQFDRIIPPOKR-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.93
Rot. Bonds4

About 2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine

2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine (PubChem CID 116897723) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine
PubChem CID116897723
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine
SMILESCOc1cc(F)c(-c2ccnc(CCN)n2)cc1F
InChIInChI=1S/C13H13F2N3O/c1-19-12-7-9(14)8(6-10(12)15)11-3-5-17-13(18-11)2-4-16/h3,5-7H,2,4,16H2,1H3
InChIKeyUSIQFDRIIPPOKR-UHFFFAOYSA-N
XLogP1.93
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-difluoro-4-methoxyphenyl)pyrimidine-2-carboxylic acid
CID 116899779
[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine
CID 82475463
2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine
CID 96664973
2-(2-chloroethyl)-4-(5-fluoro-2-methoxyphenyl)pyrimidine
CID 116899336
2-[4-(2,3,4-trimethylphenyl)pyrimidin-2-yl]ethanamine
CID 116897730
2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine
CID 96664975
3-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propan-1-amine
CID 116898107
[4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine
CID 82479798
2-[2-bromo-4-(2,5-difluoro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 84609274
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
7-fluoro-6-methoxyisoquinolin-1-amine
CID 82276421
(7-fluoro-6-methoxyisoquinolin-1-yl)methanamine
CID 82396051

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine?
The IUPAC name of 2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine (CID 116897723) is 2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine is COc1cc(F)c(-c2ccnc(CCN)n2)cc1F.
What is the InChIKey of 2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine?
The InChIKey is USIQFDRIIPPOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-19-12-7-9(14)8(6-10(12)15)11-3-5-17-13(18-11)2-4-16/h3,5-7H,2,4,16H2,1H3.
What are the key properties of 2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine?
2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine has a molecular weight of 265.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 116897723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).