5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine

C13H13BrFN3O — CID 107922881

IUPAC5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
SMILESCCc1nc(-c2ccc(F)c(OC)c2)nc(N)c1Br
InChIInChI=1S/C13H13BrFN3O/c1-3-9-11(14)12(16)18-13(17-9)7-4-5-8(15)10(6-7)19-2/h4-6H,3H2,1-2H3,(H2,16,17,18)
InChIKeyNYYSUMIZJXQQDC-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.20
Rot. Bonds3

About 5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine

5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine (PubChem CID 107922881) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
PubChem CID107922881
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
SMILESCCc1nc(-c2ccc(F)c(OC)c2)nc(N)c1Br
InChIInChI=1S/C13H13BrFN3O/c1-3-9-11(14)12(16)18-13(17-9)7-4-5-8(15)10(6-7)19-2/h4-6H,3H2,1-2H3,(H2,16,17,18)
InChIKeyNYYSUMIZJXQQDC-UHFFFAOYSA-N
XLogP3.20
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine
CID 66300010
5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66295747
4-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
CID 114207171
5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine
CID 66298635
5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 107922895
5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 66303209
2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107922821
5-(aminomethyl)-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 114016280
3-(4-amino-5-bromo-6-ethylpyrimidin-2-yl)phenol
CID 66296362
2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 107922852
5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine
CID 104818317
2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
CID 107922532

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine (CID 107922881) is 5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine is CCc1nc(-c2ccc(F)c(OC)c2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is NYYSUMIZJXQQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-3-9-11(14)12(16)18-13(17-9)7-4-5-8(15)10(6-7)19-2/h4-6H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine?
5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 326.17 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 107922881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).