2-tert-butyl-N-[2-(3-methoxyphenoxy)ethyl]pyrimidin-4-amine

C17H23N3O2 — CID 133351052

IUPAC2-tert-butyl-N-[2-(3-methoxyphenoxy)ethyl]pyrimidin-4-amine
SMILESCOc1cccc(OCCNc2ccnc(C(C)(C)C)n2)c1
InChIInChI=1S/C17H23N3O2/c1-17(2,3)16-19-9-8-15(20-16)18-10-11-22-14-7-5-6-13(12-14)21-4/h5-9,12H,10-11H2,1-4H3,(H,18,19,20)
InChIKeyDUGLOVKLZMQORF-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.27
Rot. Bonds6

About 2-tert-butyl-N-[2-(3-methoxyphenoxy)ethyl]pyrimidin-4-amine

2-tert-butyl-N-[2-(3-methoxyphenoxy)ethyl]pyrimidin-4-amine (PubChem CID 133351052) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(3-methoxyphenoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(3-methoxyphenoxy)ethyl]pyrimidin-4-amine
PubChem CID133351052
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-tert-butyl-N-[2-(3-methoxyphenoxy)ethyl]pyrimidin-4-amine
SMILESCOc1cccc(OCCNc2ccnc(C(C)(C)C)n2)c1
InChIInChI=1S/C17H23N3O2/c1-17(2,3)16-19-9-8-15(20-16)18-10-11-22-14-7-5-6-13(12-14)21-4/h5-9,12H,10-11H2,1-4H3,(H,18,19,20)
InChIKeyDUGLOVKLZMQORF-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-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 133345400
2-N-(3-methoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886107
2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine
CID 80901049
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112885905
2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine
CID 80815231
N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine
CID 61031885
2-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109174968
6-methyl-N-(2-pyridin-3-yloxyethyl)pyridin-2-amine
CID 75509865
N-[2-(3-methoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid
CID 2865974
2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine
CID 80827502
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895126
1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 141365306

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(3-methoxyphenoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-[2-(3-methoxyphenoxy)ethyl]pyrimidin-4-amine (CID 133351052) is 2-tert-butyl-N-[2-(3-methoxyphenoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-[2-(3-methoxyphenoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-[2-(3-methoxyphenoxy)ethyl]pyrimidin-4-amine is COc1cccc(OCCNc2ccnc(C(C)(C)C)n2)c1.
What is the InChIKey of 2-tert-butyl-N-[2-(3-methoxyphenoxy)ethyl]pyrimidin-4-amine?
The InChIKey is DUGLOVKLZMQORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,3)16-19-9-8-15(20-16)18-10-11-22-14-7-5-6-13(12-14)21-4/h5-9,12H,10-11H2,1-4H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-N-[2-(3-methoxyphenoxy)ethyl]pyrimidin-4-amine?
2-tert-butyl-N-[2-(3-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-(3-methoxyphenoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 133351052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).