5-[2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethyl]pyrimidin-2-amine

C21H24N4O — CID 164991107

IUPAC5-[2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethyl]pyrimidin-2-amine
SMILESCC(C)(C)c1ccc(Oc2ccc(CCc3cnc(N)nc3)cn2)cc1
InChIInChI=1S/C21H24N4O/c1-21(2,3)17-7-9-18(10-8-17)26-19-11-6-15(12-23-19)4-5-16-13-24-20(22)25-14-16/h6-14H,4-5H2,1-3H3,(H2,22,24,25)
InChIKeyLMSBYYXDGHKZJP-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.33
Rot. Bonds5

About 5-[2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethyl]pyrimidin-2-amine

5-[2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethyl]pyrimidin-2-amine (PubChem CID 164991107) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-[2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethyl]pyrimidin-2-amine
PubChem CID164991107
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name5-[2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethyl]pyrimidin-2-amine
SMILESCC(C)(C)c1ccc(Oc2ccc(CCc3cnc(N)nc3)cn2)cc1
InChIInChI=1S/C21H24N4O/c1-21(2,3)17-7-9-18(10-8-17)26-19-11-6-15(12-23-19)4-5-16-13-24-20(22)25-14-16/h6-14H,4-5H2,1-3H3,(H2,22,24,25)
InChIKeyLMSBYYXDGHKZJP-UHFFFAOYSA-N
XLogP4.33
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine
CID 80640150
2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine
CID 80626968
2-(4-tert-butylphenoxy)-5-methylpyridine
CID 135299513
5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine
CID 107086966
5-tert-butyl-2-(4-fluorophenoxy)pyridine
CID 69192638
5-tert-butyl-2-(4-chlorophenoxy)pyridine
CID 59464073
2-[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]ethanamine
CID 80640346
5,6-dimethyl-N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pyrimidin-4-amine
CID 155471346
6-[4-[(5-amino-2-pyridinyl)oxy]phenoxy]pyridin-3-amine
CID 102449756
5-(methoxymethyl)-2-(4-methoxyphenoxy)pyridine
CID 143812983
6-(4-tert-butylphenoxy)-N-(2H-tetrazol-5-ylmethyl)pyridin-3-amine
CID 155193085
ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate
CID 143813025

Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethyl]pyrimidin-2-amine (CID 164991107) is 5-[2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethyl]pyrimidin-2-amine is CC(C)(C)c1ccc(Oc2ccc(CCc3cnc(N)nc3)cn2)cc1.
What is the InChIKey of 5-[2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethyl]pyrimidin-2-amine?
The InChIKey is LMSBYYXDGHKZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-21(2,3)17-7-9-18(10-8-17)26-19-11-6-15(12-23-19)4-5-16-13-24-20(22)25-14-16/h6-14H,4-5H2,1-3H3,(H2,22,24,25).
What are the key properties of 5-[2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethyl]pyrimidin-2-amine?
5-[2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethyl]pyrimidin-2-amine has a molecular weight of 348.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 164991107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).