6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine

C17H23N3O — CID 80989084

IUPAC6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(Oc2cc(C)cc(C)c2)c1C
InChIInChI=1S/C17H23N3O/c1-6-15-19-16(18-7-2)13(5)17(20-15)21-14-9-11(3)8-12(4)10-14/h8-10H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyILZIQVCICMRTDW-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.19
Rot. Bonds5

About 6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine

6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine (PubChem CID 80989084) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
PubChem CID80989084
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(Oc2cc(C)cc(C)c2)c1C
InChIInChI=1S/C17H23N3O/c1-6-15-19-16(18-7-2)13(5)17(20-15)21-14-9-11(3)8-12(4)10-14/h8-10H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyILZIQVCICMRTDW-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80870359
4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine
CID 80973005
6-(2-bromo-4-chlorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989565
6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80988469
N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80989328
[6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001306
[2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]oxyphenyl]methanol
CID 80990380
6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80875061
N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine
CID 80988312
6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80987958
6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989417
N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine
CID 103408396

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine (CID 80989084) is 6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine is CCNc1nc(CC)nc(Oc2cc(C)cc(C)c2)c1C.
What is the InChIKey of 6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine?
The InChIKey is ILZIQVCICMRTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-6-15-19-16(18-7-2)13(5)17(20-15)21-14-9-11(3)8-12(4)10-14/h8-10H,6-7H2,1-5H3,(H,18,19,20).
What are the key properties of 6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine?
6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.19, 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,2-diethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80989084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).