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

C13H14FN3O — CID 80869023

IUPACN-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(Oc2cccc(F)c2)n1
InChIInChI=1S/C13H14FN3O/c1-3-15-13-16-9(2)7-12(17-13)18-11-6-4-5-10(14)8-11/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyICZSRZHZUUVCBV-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.15
Rot. Bonds4

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

N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine (PubChem CID 80869023) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine
PubChem CID80869023
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(Oc2cccc(F)c2)n1
InChIInChI=1S/C13H14FN3O/c1-3-15-13-16-9(2)7-12(17-13)18-11-6-4-5-10(14)8-11/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyICZSRZHZUUVCBV-UHFFFAOYSA-N
XLogP3.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine
CID 80864633
3-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxybenzonitrile
CID 80863077
4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80864393
4-N-ethyl-6-(3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80870028
4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80874616
4-(2,6-dimethoxyphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80865640
4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
CID 80869700
N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331903
4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80873590
2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile
CID 80864396
4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 80880224
[4-(3-ethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80913357

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine (CID 80869023) is N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine is CCNc1nc(C)cc(Oc2cccc(F)c2)n1.
What is the InChIKey of N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine?
The InChIKey is ICZSRZHZUUVCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-3-15-13-16-9(2)7-12(17-13)18-11-6-4-5-10(14)8-11/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine?
N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine has a molecular weight of 247.27 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 80869023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).