6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine

C16H21N3O — CID 80870359

IUPAC6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C)nc(Oc2cc(C)cc(C)c2)c1C
InChIInChI=1S/C16H21N3O/c1-6-17-15-12(4)16(19-13(5)18-15)20-14-8-10(2)7-11(3)9-14/h7-9H,6H2,1-5H3,(H,17,18,19)
InChIKeyMWHURSYNYCIQTH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.93
Rot. Bonds4

About 6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine

6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine (PubChem CID 80870359) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
PubChem CID80870359
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C)nc(Oc2cc(C)cc(C)c2)c1C
InChIInChI=1S/C16H21N3O/c1-6-17-15-12(4)16(19-13(5)18-15)20-14-8-10(2)7-11(3)9-14/h7-9H,6H2,1-5H3,(H,17,18,19)
InChIKeyMWHURSYNYCIQTH-UHFFFAOYSA-N
XLogP3.93
TPSA47.04 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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989084
6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80875061
6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80864394
N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880293
4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile
CID 80869908
N-ethyl-2,5-dimethyl-6-(3-nitrophenoxy)pyrimidin-4-amine
CID 80878598
6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80859735
6-(3,5-dimethylphenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80864323
6-(4-bromo-2-chlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80881509
N-ethyl-2,5-dimethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80882702
2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine
CID 80870307
6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80881869

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine (CID 80870359) is 6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine is CCNc1nc(C)nc(Oc2cc(C)cc(C)c2)c1C.
What is the InChIKey of 6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
The InChIKey is MWHURSYNYCIQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-6-17-15-12(4)16(19-13(5)18-15)20-14-8-10(2)7-11(3)9-14/h7-9H,6H2,1-5H3,(H,17,18,19).
What are the key properties of 6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80870359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).