N-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine

C15H19N3O — CID 80875006

IUPACN-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
SMILESCCNc1cc(Oc2c(C)ccc(C)c2C)ncn1
InChIInChI=1S/C15H19N3O/c1-5-16-13-8-14(18-9-17-13)19-15-11(3)7-6-10(2)12(15)4/h6-9H,5H2,1-4H3,(H,16,17,18)
InChIKeyGUSSCYOVDAHIPB-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.63
Rot. Bonds4

About N-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine

N-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine (PubChem CID 80875006) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
PubChem CID80875006
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
SMILESCCNc1cc(Oc2c(C)ccc(C)c2C)ncn1
InChIInChI=1S/C15H19N3O/c1-5-16-13-8-14(18-9-17-13)19-15-11(3)7-6-10(2)12(15)4/h6-9H,5H2,1-4H3,(H,16,17,18)
InChIKeyGUSSCYOVDAHIPB-UHFFFAOYSA-N
XLogP3.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 80863903
6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 80862829
6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 107727323
N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80870346
6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80874308
6-(2-tert-butyl-5-methylphenoxy)-N-ethylpyrimidin-4-amine
CID 80864924
3,5-dimethyl-4-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80863050
6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine
CID 80862793
N-ethyl-6-(3-methyl-2-nitrophenoxy)pyrimidin-4-amine
CID 80875927
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
CID 80874108
6-(2-bromo-4-chlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80881299
6-(4-bromo-3-fluorophenoxy)-N-ethylpyrimidin-4-amine
CID 80878239

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine (CID 80875006) is N-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine is CCNc1cc(Oc2c(C)ccc(C)c2C)ncn1.
What is the InChIKey of N-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine?
The InChIKey is GUSSCYOVDAHIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-5-16-13-8-14(18-9-17-13)19-15-11(3)7-6-10(2)12(15)4/h6-9H,5H2,1-4H3,(H,16,17,18).
What are the key properties of N-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine?
N-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80875006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).