6-ethyl-N-[2-(3-fluorophenoxy)propyl]-2-methylpyrimidin-4-amine

C16H20FN3O — CID 133461305

IUPAC6-ethyl-N-[2-(3-fluorophenoxy)propyl]-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCC(C)Oc2cccc(F)c2)nc(C)n1
InChIInChI=1S/C16H20FN3O/c1-4-14-9-16(20-12(3)19-14)18-10-11(2)21-15-7-5-6-13(17)8-15/h5-9,11H,4,10H2,1-3H3,(H,18,19,20)
InChIKeyUUOKQEUDXQIULU-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.37
Rot. Bonds6

About 6-ethyl-N-[2-(3-fluorophenoxy)propyl]-2-methylpyrimidin-4-amine

6-ethyl-N-[2-(3-fluorophenoxy)propyl]-2-methylpyrimidin-4-amine (PubChem CID 133461305) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 6-ethyl-N-[2-(3-fluorophenoxy)propyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[2-(3-fluorophenoxy)propyl]-2-methylpyrimidin-4-amine
PubChem CID133461305
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name6-ethyl-N-[2-(3-fluorophenoxy)propyl]-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCC(C)Oc2cccc(F)c2)nc(C)n1
InChIInChI=1S/C16H20FN3O/c1-4-14-9-16(20-12(3)19-14)18-10-11(2)21-15-7-5-6-13(17)8-15/h5-9,11H,4,10H2,1-3H3,(H,18,19,20)
InChIKeyUUOKQEUDXQIULU-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-N-[2-(3-fluorophenoxy)ethyl]-2-methylpyrimidin-4-amine
CID 133459980
1-ethyl-3-[2-(3-fluorophenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111681714
6-ethyl-2-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 65417794
6-ethyl-2-morpholin-4-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-4-amine
CID 134698488
1-[(2R)-2-(3-fluorophenoxy)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 96518547
6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 65416274
3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66174808
N-ethyl-2-(3-fluorophenoxy)butan-1-amine
CID 62459043
N-[2-(1,3-benzothiazol-2-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133472762
6-ethyl-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine
CID 133472316
ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate
CID 64706858
6-methyl-N-[2-(4-methylphenoxy)propyl]pyridin-2-amine
CID 133483616

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[2-(3-fluorophenoxy)propyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[2-(3-fluorophenoxy)propyl]-2-methylpyrimidin-4-amine (CID 133461305) is 6-ethyl-N-[2-(3-fluorophenoxy)propyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[2-(3-fluorophenoxy)propyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[2-(3-fluorophenoxy)propyl]-2-methylpyrimidin-4-amine is CCc1cc(NCC(C)Oc2cccc(F)c2)nc(C)n1.
What is the InChIKey of 6-ethyl-N-[2-(3-fluorophenoxy)propyl]-2-methylpyrimidin-4-amine?
The InChIKey is UUOKQEUDXQIULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-4-14-9-16(20-12(3)19-14)18-10-11(2)21-15-7-5-6-13(17)8-15/h5-9,11H,4,10H2,1-3H3,(H,18,19,20).
What are the key properties of 6-ethyl-N-[2-(3-fluorophenoxy)propyl]-2-methylpyrimidin-4-amine?
6-ethyl-N-[2-(3-fluorophenoxy)propyl]-2-methylpyrimidin-4-amine has a molecular weight of 289.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[2-(3-fluorophenoxy)propyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 133461305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).