2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine

C14H17N3O — CID 80988500

IUPAC2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(Oc2cccc(C)c2)n1
InChIInChI=1S/C14H17N3O/c1-4-12-16-13(15)10(3)14(17-12)18-11-7-5-6-9(2)8-11/h5-8H,4H2,1-3H3,(H2,15,16,17)
InChIKeyZJDPESIYIACJJG-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.03
Rot. Bonds3

About 2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine

2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine (PubChem CID 80988500) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
PubChem CID80988500
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(Oc2cccc(C)c2)n1
InChIInChI=1S/C14H17N3O/c1-4-12-16-13(15)10(3)14(17-12)18-11-7-5-6-9(2)8-11/h5-8H,4H2,1-3H3,(H2,15,16,17)
InChIKeyZJDPESIYIACJJG-UHFFFAOYSA-N
XLogP3.03
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80989458
2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80988288
2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
CID 80989349
6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine
CID 80988867
2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine
CID 80989583
2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine
CID 80989485
2-ethyl-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80990825
6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989669
4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine
CID 80974213
2-ethyl-5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-amine
CID 80988350
2-ethyl-5-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80988712
2-ethyl-6-methoxy-5-methylpyrimidin-4-amine
CID 80988448

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine (CID 80988500) is 2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine is CCc1nc(N)c(C)c(Oc2cccc(C)c2)n1.
What is the InChIKey of 2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine?
The InChIKey is ZJDPESIYIACJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-12-16-13(15)10(3)14(17-12)18-11-7-5-6-9(2)8-11/h5-8H,4H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine?
2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80988500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).