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

C17H23N3O — CID 80966273

IUPAC6-(3,5-dimethylphenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cc(C)cc(C)c2)nc(C(C)C)n1
InChIInChI=1S/C17H23N3O/c1-6-18-15-10-16(20-17(19-15)11(2)3)21-14-8-12(4)7-13(5)9-14/h7-11H,6H2,1-5H3,(H,18,19,20)
InChIKeyBHYDNHDLISPIBF-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.44
Rot. Bonds5

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

6-(3,5-dimethylphenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80966273) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-(3,5-dimethylphenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylphenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80966273
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-(3,5-dimethylphenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cc(C)cc(C)c2)nc(C(C)C)n1
InChIInChI=1S/C17H23N3O/c1-6-18-15-10-16(20-17(19-15)11(2)3)21-14-8-12(4)7-13(5)9-14/h7-11H,6H2,1-5H3,(H,18,19,20)
InChIKeyBHYDNHDLISPIBF-UHFFFAOYSA-N
XLogP4.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80965984
N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 102988989
6-but-3-yn-2-yloxy-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 106795289
[2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol
CID 80966539
6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80963169
4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80864393
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
N-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine
CID 106669036
N-ethyl-6-pent-4-enoxy-2-propan-2-ylpyrimidin-4-amine
CID 80962371
6-[3-(dimethylamino)propoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80963365
4-N-(2-ethoxyethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967942
6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960320

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylphenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine (CID 80966273) is 6-(3,5-dimethylphenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylphenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylphenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine is CCNc1cc(Oc2cc(C)cc(C)c2)nc(C(C)C)n1.
What is the InChIKey of 6-(3,5-dimethylphenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is BHYDNHDLISPIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-6-18-15-10-16(20-17(19-15)11(2)3)21-14-8-12(4)7-13(5)9-14/h7-11H,6H2,1-5H3,(H,18,19,20).
What are the key properties of 6-(3,5-dimethylphenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine?
6-(3,5-dimethylphenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.44, 5 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-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80966273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).