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

C16H21N3O — CID 80881551

IUPAC6-(2-butan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccccc2C(C)CC)ncn1
InChIInChI=1S/C16H21N3O/c1-4-12(3)13-8-6-7-9-14(13)20-16-10-15(17-5-2)18-11-19-16/h6-12H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyPUOLXAQJECQTBS-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.21
Rot. Bonds6

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

6-(2-butan-2-ylphenoxy)-N-ethylpyrimidin-4-amine (PubChem CID 80881551) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-(2-butan-2-ylphenoxy)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-butan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
PubChem CID80881551
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-(2-butan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccccc2C(C)CC)ncn1
InChIInChI=1S/C16H21N3O/c1-4-12(3)13-8-6-7-9-14(13)20-16-10-15(17-5-2)18-11-19-16/h6-12H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyPUOLXAQJECQTBS-UHFFFAOYSA-N
XLogP4.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine
CID 80862793
6-(2-butan-2-ylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80881121
6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 80862829
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
CID 80874108
N-ethyl-6-(3-methyl-2-nitrophenoxy)pyrimidin-4-amine
CID 80875927
N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80870346
6-(2-bromo-4-chlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80881299
6-(2-tert-butyl-5-methylphenoxy)-N-ethylpyrimidin-4-amine
CID 80864924
[4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine
CID 80916193
6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80874308
6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 80863903
N-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
CID 80875006

Frequently Asked Questions

What is the IUPAC name of 6-(2-butan-2-ylphenoxy)-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-(2-butan-2-ylphenoxy)-N-ethylpyrimidin-4-amine (CID 80881551) is 6-(2-butan-2-ylphenoxy)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-butan-2-ylphenoxy)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-butan-2-ylphenoxy)-N-ethylpyrimidin-4-amine is CCNc1cc(Oc2ccccc2C(C)CC)ncn1.
What is the InChIKey of 6-(2-butan-2-ylphenoxy)-N-ethylpyrimidin-4-amine?
The InChIKey is PUOLXAQJECQTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-12(3)13-8-6-7-9-14(13)20-16-10-15(17-5-2)18-11-19-16/h6-12H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(2-butan-2-ylphenoxy)-N-ethylpyrimidin-4-amine?
6-(2-butan-2-ylphenoxy)-N-ethylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 4.21, 6 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)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80881551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).