2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine

C14H16FN3O — CID 80977034

IUPAC2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(-c2cc(F)ccc2OC)n1
InChIInChI=1S/C14H16FN3O/c1-4-12-17-13(8(2)14(16)18-12)10-7-9(15)5-6-11(10)19-3/h5-7H,4H2,1-3H3,(H2,16,17,18)
InChIKeyQGJSBPBAFLSFQF-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.74
Rot. Bonds3

About 2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine

2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine (PubChem CID 80977034) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
PubChem CID80977034
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(-c2cc(F)ccc2OC)n1
InChIInChI=1S/C14H16FN3O/c1-4-12-17-13(8(2)14(16)18-12)10-7-9(15)5-6-11(10)19-3/h5-7H,4H2,1-3H3,(H2,16,17,18)
InChIKeyQGJSBPBAFLSFQF-UHFFFAOYSA-N
XLogP2.74
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine (CID 80977034) is 2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine is CCc1nc(N)c(C)c(-c2cc(F)ccc2OC)n1.
What is the InChIKey of 2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine?
The InChIKey is QGJSBPBAFLSFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-4-12-17-13(8(2)14(16)18-12)10-7-9(15)5-6-11(10)19-3/h5-7H,4H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine?
2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine has a molecular weight of 261.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80977034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).