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

C14H17N3O2 — CID 80864633

IUPACN-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(Oc2cccc(OC)c2)n1
InChIInChI=1S/C14H17N3O2/c1-4-15-14-16-10(2)8-13(17-14)19-12-7-5-6-11(9-12)18-3/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyVQEHMHLCQHMDBJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.02
Rot. Bonds5

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

N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine (PubChem CID 80864633) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine
PubChem CID80864633
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(Oc2cccc(OC)c2)n1
InChIInChI=1S/C14H17N3O2/c1-4-15-14-16-10(2)8-13(17-14)19-12-7-5-6-11(9-12)18-3/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyVQEHMHLCQHMDBJ-UHFFFAOYSA-N
XLogP3.02
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 80869023
3-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxybenzonitrile
CID 80863077
4-(2,6-dimethoxyphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80865640
4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80864393
4-methoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112690994
4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80874616
4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80873590
4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 115974506
4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 80880224
4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
CID 80869700
2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile
CID 80864396
[4-(3-ethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80913357

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine (CID 80864633) is N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine is CCNc1nc(C)cc(Oc2cccc(OC)c2)n1.
What is the InChIKey of N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine?
The InChIKey is VQEHMHLCQHMDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-15-14-16-10(2)8-13(17-14)19-12-7-5-6-11(9-12)18-3/h5-9H,4H2,1-3H3,(H,15,16,17).
What are the key properties of N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine?
N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine has a molecular weight of 259.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 80864633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).