6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine

C16H21N3O — CID 80941065

IUPAC6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(Oc2ccccc2C(C)CC)n1
InChIInChI=1S/C16H21N3O/c1-4-11(3)12-8-6-7-9-13(12)20-16-10-14(17)18-15(5-2)19-16/h6-11H,4-5H2,1-3H3,(H2,17,18,19)
InChIKeyLFBSFSOAFQFJHP-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.93
Rot. Bonds5

About 6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine

6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine (PubChem CID 80941065) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine
PubChem CID80941065
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(Oc2ccccc2C(C)CC)n1
InChIInChI=1S/C16H21N3O/c1-4-11(3)12-8-6-7-9-13(12)20-16-10-14(17)18-15(5-2)19-16/h6-11H,4-5H2,1-3H3,(H2,17,18,19)
InChIKeyLFBSFSOAFQFJHP-UHFFFAOYSA-N
XLogP3.93
TPSA61.03 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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-(2-methoxyphenoxy)pyrimidin-4-amine
CID 80941255
2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80941059
4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80943134
6-(2-butan-2-ylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80881121
6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine
CID 80937801
2-ethyl-6-(1-phenylethoxy)pyrimidin-4-amine
CID 80941044
6-[(2-butan-2-ylphenoxy)methyl]pyridin-2-amine
CID 79239022
4-(2-butan-2-ylphenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80874080
6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80881297
[4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine
CID 80916193
6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80942785
6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine
CID 80941349

Frequently Asked Questions

What is the IUPAC name of 6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine?
The IUPAC name of 6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine (CID 80941065) is 6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine is CCc1nc(N)cc(Oc2ccccc2C(C)CC)n1.
What is the InChIKey of 6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine?
The InChIKey is LFBSFSOAFQFJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-11(3)12-8-6-7-9-13(12)20-16-10-14(17)18-15(5-2)19-16/h6-11H,4-5H2,1-3H3,(H2,17,18,19).
What are the key properties of 6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine?
6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 80941065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).