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

C16H21N3O — CID 80989458

IUPAC2-ethyl-5-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(Oc2cccc(C(C)C)c2)n1
InChIInChI=1S/C16H21N3O/c1-5-14-18-15(17)11(4)16(19-14)20-13-8-6-7-12(9-13)10(2)3/h6-10H,5H2,1-4H3,(H2,17,18,19)
InChIKeyQLFHQGXTFGVUAD-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.85
Rot. Bonds4

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

2-ethyl-5-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-4-amine (PubChem CID 80989458) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-4-amine
PubChem CID80989458
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-ethyl-5-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(Oc2cccc(C(C)C)c2)n1
InChIInChI=1S/C16H21N3O/c1-5-14-18-15(17)11(4)16(19-14)20-13-8-6-7-12(9-13)10(2)3/h6-10H,5H2,1-4H3,(H2,17,18,19)
InChIKeyQLFHQGXTFGVUAD-UHFFFAOYSA-N
XLogP3.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
CID 80988500
2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80988288
6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine
CID 80988867
4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine
CID 80943842
2-ethyl-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80990825
2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine
CID 80989485
2-ethyl-5-methyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988352
2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine
CID 80989583
2-ethyl-5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-amine
CID 80988350
4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine
CID 80974213
6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989669
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-4-amine (CID 80989458) is 2-ethyl-5-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-4-amine is CCc1nc(N)c(C)c(Oc2cccc(C(C)C)c2)n1.
What is the InChIKey of 2-ethyl-5-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-4-amine?
The InChIKey is QLFHQGXTFGVUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-14-18-15(17)11(4)16(19-14)20-13-8-6-7-12(9-13)10(2)3/h6-10H,5H2,1-4H3,(H2,17,18,19).
What are the key properties of 2-ethyl-5-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-4-amine?
2-ethyl-5-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.85, 4 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-propan-2-ylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80989458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).