2-ethyl-5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-amine

C16H21N3O2 — CID 80988350

IUPAC2-ethyl-5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-amine
SMILESCCCOc1ccccc1Oc1nc(CC)nc(N)c1C
InChIInChI=1S/C16H21N3O2/c1-4-10-20-12-8-6-7-9-13(12)21-16-11(3)15(17)18-14(5-2)19-16/h6-9H,4-5,10H2,1-3H3,(H2,17,18,19)
InChIKeyZIRFMADXOKUASR-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.51
Rot. Bonds6

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

2-ethyl-5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-amine (PubChem CID 80988350) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-amine
PubChem CID80988350
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-ethyl-5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-amine
SMILESCCCOc1ccccc1Oc1nc(CC)nc(N)c1C
InChIInChI=1S/C16H21N3O2/c1-4-10-20-12-8-6-7-9-13(12)21-16-11(3)15(17)18-14(5-2)19-16/h6-9H,4-5,10H2,1-3H3,(H2,17,18,19)
InChIKeyZIRFMADXOKUASR-UHFFFAOYSA-N
XLogP3.51
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80990825
2-ethyl-5-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80988712
6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989252
2-ethyl-6-hexoxy-5-methylpyrimidin-4-amine
CID 80989158
N-[2-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)oxyphenyl]acetamide
CID 80987961
2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine
CID 80989583
2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
CID 80988500
6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine
CID 80988867
2-ethyl-6-methoxy-5-methylpyrimidin-4-amine
CID 80988448
6-butoxy-5-methyl-2-propylpyrimidin-4-amine
CID 80989223
[5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-yl]hydrazine
CID 80917904
3-methyl-2-(2-propoxyphenoxy)aniline
CID 115550861

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-amine (CID 80988350) is 2-ethyl-5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-amine is CCCOc1ccccc1Oc1nc(CC)nc(N)c1C.
What is the InChIKey of 2-ethyl-5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-amine?
The InChIKey is ZIRFMADXOKUASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-10-20-12-8-6-7-9-13(12)21-16-11(3)15(17)18-14(5-2)19-16/h6-9H,4-5,10H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-ethyl-5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-amine?
2-ethyl-5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80988350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).