2-tert-butyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine

C17H23N3O2 — CID 133345400

IUPAC2-tert-butyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
SMILESCOc1ccc(OCCNc2ccnc(C(C)(C)C)n2)cc1
InChIInChI=1S/C17H23N3O2/c1-17(2,3)16-19-10-9-15(20-16)18-11-12-22-14-7-5-13(21-4)6-8-14/h5-10H,11-12H2,1-4H3,(H,18,19,20)
InChIKeyMMOWCMWEEGLXGF-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.27
Rot. Bonds6

About 2-tert-butyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine

2-tert-butyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine (PubChem CID 133345400) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
PubChem CID133345400
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-tert-butyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
SMILESCOc1ccc(OCCNc2ccnc(C(C)(C)C)n2)cc1
InChIInChI=1S/C17H23N3O2/c1-17(2,3)16-19-10-9-15(20-16)18-11-12-22-14-7-5-13(21-4)6-8-14/h5-10H,11-12H2,1-4H3,(H,18,19,20)
InChIKeyMMOWCMWEEGLXGF-UHFFFAOYSA-N
XLogP3.27
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-N-[2-(3-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 133351052
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112885905
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112899521
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892411
N-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 112886594
4-N-[2-(4-methoxyphenoxy)ethyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892289
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112894692
6-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869510
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112899527
2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 133331625
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 60679168

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine (CID 133345400) is 2-tert-butyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine is COc1ccc(OCCNc2ccnc(C(C)(C)C)n2)cc1.
What is the InChIKey of 2-tert-butyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine?
The InChIKey is MMOWCMWEEGLXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,3)16-19-10-9-15(20-16)18-11-12-22-14-7-5-13(21-4)6-8-14/h5-10H,11-12H2,1-4H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine?
2-tert-butyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine has a molecular weight of 301.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 133345400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).