N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine

C17H23N3O — CID 80880293

IUPACN-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine
SMILESCCCc1ccc(Oc2nc(C)nc(NCC)c2C)cc1
InChIInChI=1S/C17H23N3O/c1-5-7-14-8-10-15(11-9-14)21-17-12(3)16(18-6-2)19-13(4)20-17/h8-11H,5-7H2,1-4H3,(H,18,19,20)
InChIKeyZLZACVRSNSPFAC-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.27
Rot. Bonds6

About N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine

N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine (PubChem CID 80880293) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine
PubChem CID80880293
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine
SMILESCCCc1ccc(Oc2nc(C)nc(NCC)c2C)cc1
InChIInChI=1S/C17H23N3O/c1-5-7-14-8-10-15(11-9-14)21-17-12(3)16(18-6-2)19-13(4)20-17/h8-11H,5-7H2,1-4H3,(H,18,19,20)
InChIKeyZLZACVRSNSPFAC-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile
CID 80869908
6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80870359
6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80881869
2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine
CID 80870307
6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80875061
[4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80870849
N,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80874986
N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80879453
6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80859735
N-ethyl-2,5-dimethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80882702
5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80989825
N-ethyl-2,5-dimethyl-6-(3-nitrophenoxy)pyrimidin-4-amine
CID 80878598

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine (CID 80880293) is N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine is CCCc1ccc(Oc2nc(C)nc(NCC)c2C)cc1.
What is the InChIKey of N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine?
The InChIKey is ZLZACVRSNSPFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-7-14-8-10-15(11-9-14)21-17-12(3)16(18-6-2)19-13(4)20-17/h8-11H,5-7H2,1-4H3,(H,18,19,20).
What are the key properties of N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine?
N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80880293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).