6-(4-ethylphenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine

C17H23N3O — CID 80989080

IUPAC6-(4-ethylphenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)c(C)c(Oc2ccc(CC)cc2)n1
InChIInChI=1S/C17H23N3O/c1-5-7-15-19-16(18-4)12(3)17(20-15)21-14-10-8-13(6-2)9-11-14/h8-11H,5-7H2,1-4H3,(H,18,19,20)
InChIKeyJJWXWKODDRAAPD-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.13
Rot. Bonds6

About 6-(4-ethylphenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine

6-(4-ethylphenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine (PubChem CID 80989080) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-(4-ethylphenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-ethylphenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine
PubChem CID80989080
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-(4-ethylphenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)c(C)c(Oc2ccc(CC)cc2)n1
InChIInChI=1S/C17H23N3O/c1-5-7-15-19-16(18-4)12(3)17(20-15)21-14-10-8-13(6-2)9-11-14/h8-11H,5-7H2,1-4H3,(H,18,19,20)
InChIKeyJJWXWKODDRAAPD-UHFFFAOYSA-N
XLogP4.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80991039
4-N-(4-ethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80982111
5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80989825
N,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80874986
[4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80870849
N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880293
6-(4-chloro-3-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 82718447
N,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine
CID 80989853
N,5-dimethyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794156
5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880121
4-chloro-6-(4-ethylphenoxy)-2,5-dimethylpyrimidine
CID 63736051
[6-(4-ethylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80915337

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-ethylphenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine (CID 80989080) is 6-(4-ethylphenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-ethylphenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-ethylphenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine is CCCc1nc(NC)c(C)c(Oc2ccc(CC)cc2)n1.
What is the InChIKey of 6-(4-ethylphenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine?
The InChIKey is JJWXWKODDRAAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-7-15-19-16(18-4)12(3)17(20-15)21-14-10-8-13(6-2)9-11-14/h8-11H,5-7H2,1-4H3,(H,18,19,20).
What are the key properties of 6-(4-ethylphenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine?
6-(4-ethylphenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80989080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).