2-ethyl-6-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-4-amine

C16H20FN3O — CID 80939031

IUPAC2-ethyl-6-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cc(F)ccc2OC)nc(CC)n1
InChIInChI=1S/C16H20FN3O/c1-4-8-18-16-10-13(19-15(5-2)20-16)12-9-11(17)6-7-14(12)21-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,20)
InChIKeyNVIZYFCNUYIZPR-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.68
Rot. Bonds6

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

2-ethyl-6-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-4-amine (PubChem CID 80939031) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-ethyl-6-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-4-amine
PubChem CID80939031
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-ethyl-6-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cc(F)ccc2OC)nc(CC)n1
InChIInChI=1S/C16H20FN3O/c1-4-8-18-16-10-13(19-15(5-2)20-16)12-9-11(17)6-7-14(12)21-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,20)
InChIKeyNVIZYFCNUYIZPR-UHFFFAOYSA-N
XLogP3.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-fluoro-2-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 8962681
6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine
CID 80936764
2-ethyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80936849
2-ethyl-6-(4-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine
CID 80939033
2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 80936844
2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80939677
6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935773
2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80977034
4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939052
6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935782
2-ethyl-6-(2-fluoro-3-methylphenoxy)-N-propylpyrimidin-4-amine
CID 107662786
5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 82083321

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-4-amine (CID 80939031) is 2-ethyl-6-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-4-amine is CCCNc1cc(-c2cc(F)ccc2OC)nc(CC)n1.
What is the InChIKey of 2-ethyl-6-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-4-amine?
The InChIKey is NVIZYFCNUYIZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-4-8-18-16-10-13(19-15(5-2)20-16)12-9-11(17)6-7-14(12)21-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,20).
What are the key properties of 2-ethyl-6-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-4-amine?
2-ethyl-6-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-4-amine has a molecular weight of 289.35 g/mol, XLogP of 3.68, 6 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)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80939031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).