[4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine

C13H14FN3O — CID 82479798

IUPAC[4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine
SMILESCCOc1ccc(-c2ccnc(CN)n2)cc1F
InChIInChI=1S/C13H14FN3O/c1-2-18-12-4-3-9(7-10(12)14)11-5-6-16-13(8-15)17-11/h3-7H,2,8,15H2,1H3
InChIKeyQOJWUTCOFGQVCU-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.14
Rot. Bonds4

About [4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine

[4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine (PubChem CID 82479798) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is [4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine
PubChem CID82479798
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name[4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine
SMILESCCOc1ccc(-c2ccnc(CN)n2)cc1F
InChIInChI=1S/C13H14FN3O/c1-2-18-12-4-3-9(7-10(12)14)11-5-6-16-13(8-15)17-11/h3-7H,2,8,15H2,1H3
InChIKeyQOJWUTCOFGQVCU-UHFFFAOYSA-N
XLogP2.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine
CID 82475463
2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine
CID 96664975
2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine
CID 96664973
2-[3-(4-ethoxy-3-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 96663706
4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine
CID 116894641
[4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
CID 82473712
1-[4-(4-ethoxy-3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3616998
6-(4-ethoxy-3-fluorophenyl)imidazo[1,2-b]pyridazine
CID 116854261
5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-amine
CID 82286480
2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine
CID 116897723
3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 82486573
2-amino-2-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanol
CID 116902164

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine?
The IUPAC name of [4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine (CID 82479798) is [4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine.
What is the SMILES notation for [4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine?
The canonical SMILES for [4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine is CCOc1ccc(-c2ccnc(CN)n2)cc1F.
What is the InChIKey of [4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine?
The InChIKey is QOJWUTCOFGQVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-2-18-12-4-3-9(7-10(12)14)11-5-6-16-13(8-15)17-11/h3-7H,2,8,15H2,1H3.
What are the key properties of [4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine?
[4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine has a molecular weight of 247.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine is sourced from PubChem (CID 82479798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).