N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine

C16H20FN3O — CID 102988989

IUPACN-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cc(F)ccc2C)nc(C(C)C)n1
InChIInChI=1S/C16H20FN3O/c1-5-18-14-9-15(20-16(19-14)10(2)3)21-13-8-12(17)7-6-11(13)4/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyNSGQLYXLGGQXEM-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.27
Rot. Bonds5

About N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine

N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 102988989) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine
PubChem CID102988989
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cc(F)ccc2C)nc(C(C)C)n1
InChIInChI=1S/C16H20FN3O/c1-5-18-14-9-15(20-16(19-14)10(2)3)21-13-8-12(17)7-6-11(13)4/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyNSGQLYXLGGQXEM-UHFFFAOYSA-N
XLogP4.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 102989125
2-cyclopropyl-N-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-amine
CID 102988946
6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957160
[2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol
CID 80966539
6-(3,5-dimethylphenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80966273
6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80965984
6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 107514561
[6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 107287677
6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 105396158
6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 107287439
6-[3-(dimethylamino)propoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80963365
4-N-(2-ethoxyethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967942

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine (CID 102988989) is N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine is CCNc1cc(Oc2cc(F)ccc2C)nc(C(C)C)n1.
What is the InChIKey of N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is NSGQLYXLGGQXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-5-18-14-9-15(20-16(19-14)10(2)3)21-13-8-12(17)7-6-11(13)4/h6-10H,5H2,1-4H3,(H,18,19,20).
What are the key properties of N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine?
N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 289.35 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 102988989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).