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

C16H21N3O — CID 80882032

IUPAC5-ethyl-N-methyl-6-(2-propan-2-ylphenoxy)pyrimidin-4-amine
SMILESCCc1c(NC)ncnc1Oc1ccccc1C(C)C
InChIInChI=1S/C16H21N3O/c1-5-12-15(17-4)18-10-19-16(12)20-14-9-7-6-8-13(14)11(2)3/h6-11H,5H2,1-4H3,(H,17,18,19)
InChIKeyQUZYRSJQGVNOHV-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.00
Rot. Bonds5

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

5-ethyl-N-methyl-6-(2-propan-2-ylphenoxy)pyrimidin-4-amine (PubChem CID 80882032) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-ethyl-N-methyl-6-(2-propan-2-ylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-methyl-6-(2-propan-2-ylphenoxy)pyrimidin-4-amine
PubChem CID80882032
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-ethyl-N-methyl-6-(2-propan-2-ylphenoxy)pyrimidin-4-amine
SMILESCCc1c(NC)ncnc1Oc1ccccc1C(C)C
InChIInChI=1S/C16H21N3O/c1-5-12-15(17-4)18-10-19-16(12)20-14-9-7-6-8-13(14)11(2)3/h6-11H,5H2,1-4H3,(H,17,18,19)
InChIKeyQUZYRSJQGVNOHV-UHFFFAOYSA-N
XLogP4.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-ethyl-6-(2-propan-2-ylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916406
6-(2,3-dimethylphenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80864818
5-ethyl-N-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875427
6-(2,5-dimethylphenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80863980
[5-ethyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-yl]hydrazine
CID 80925890
5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880121
6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80882073
3,5-dichloro-N-methyl-6-(2-propan-2-ylphenoxy)pyridin-2-amine
CID 102760710
6-[(2-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 80859300
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
CID 80876118
6-(4-bromo-2,5-dichlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 107662592

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-6-(2-propan-2-ylphenoxy)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-methyl-6-(2-propan-2-ylphenoxy)pyrimidin-4-amine (CID 80882032) is 5-ethyl-N-methyl-6-(2-propan-2-ylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-methyl-6-(2-propan-2-ylphenoxy)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-methyl-6-(2-propan-2-ylphenoxy)pyrimidin-4-amine is CCc1c(NC)ncnc1Oc1ccccc1C(C)C.
What is the InChIKey of 5-ethyl-N-methyl-6-(2-propan-2-ylphenoxy)pyrimidin-4-amine?
The InChIKey is QUZYRSJQGVNOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-12-15(17-4)18-10-19-16(12)20-14-9-7-6-8-13(14)11(2)3/h6-11H,5H2,1-4H3,(H,17,18,19).
What are the key properties of 5-ethyl-N-methyl-6-(2-propan-2-ylphenoxy)pyrimidin-4-amine?
5-ethyl-N-methyl-6-(2-propan-2-ylphenoxy)pyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-6-(2-propan-2-ylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80882032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).