4-(2-tert-butyl-4-ethylphenoxy)pyrimidin-2-amine

C16H21N3O — CID 80862418

IUPAC4-(2-tert-butyl-4-ethylphenoxy)pyrimidin-2-amine
SMILESCCc1ccc(Oc2ccnc(N)n2)c(C(C)(C)C)c1
InChIInChI=1S/C16H21N3O/c1-5-11-6-7-13(12(10-11)16(2,3)4)20-14-8-9-18-15(17)19-14/h6-10H,5H2,1-4H3,(H2,17,18,19)
InChIKeyMMZBKDGVSFRSEZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.71
Rot. Bonds3

About 4-(2-tert-butyl-4-ethylphenoxy)pyrimidin-2-amine

4-(2-tert-butyl-4-ethylphenoxy)pyrimidin-2-amine (PubChem CID 80862418) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(2-tert-butyl-4-ethylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-tert-butyl-4-ethylphenoxy)pyrimidin-2-amine
PubChem CID80862418
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-(2-tert-butyl-4-ethylphenoxy)pyrimidin-2-amine
SMILESCCc1ccc(Oc2ccnc(N)n2)c(C(C)(C)C)c1
InChIInChI=1S/C16H21N3O/c1-5-11-6-7-13(12(10-11)16(2,3)4)20-14-8-9-18-15(17)19-14/h6-10H,5H2,1-4H3,(H2,17,18,19)
InChIKeyMMZBKDGVSFRSEZ-UHFFFAOYSA-N
XLogP3.71
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-tert-butyl-4-ethylphenoxy)pyrimidine-2,4-diamine
CID 80866692
5-(2-tert-butyl-4-ethylphenoxy)pyrazin-2-amine
CID 80663583
4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine
CID 63504492
6-(2-tert-butyl-4-ethylphenoxy)-5-methylpyridin-3-amine
CID 63458814
[6-(2-tert-butyl-4-ethylphenoxy)pyrazin-2-yl]hydrazine
CID 80909040
4-(2-tert-butyl-4-ethylphenoxy)pyridine-2-carbonitrile
CID 63510038
4-(2-tert-butyl-4-ethylphenoxy)-3-iodoaniline
CID 66093586
[6-(2-tert-butyl-4-ethylphenoxy)pyridazin-3-yl]methanol
CID 61255013
6-[(2-tert-butyl-4-ethylphenoxy)methyl]pyridin-2-amine
CID 79234211
4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80862559
(2-tert-butyl-4-ethylphenoxy)methyl-trifluoroboranuide
CID 63701534
4-(2-tert-butyl-4-methoxyphenoxy)-2-chloropyrimidine
CID 62336755

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-4-ethylphenoxy)pyrimidin-2-amine?
The IUPAC name of 4-(2-tert-butyl-4-ethylphenoxy)pyrimidin-2-amine (CID 80862418) is 4-(2-tert-butyl-4-ethylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-tert-butyl-4-ethylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-(2-tert-butyl-4-ethylphenoxy)pyrimidin-2-amine is CCc1ccc(Oc2ccnc(N)n2)c(C(C)(C)C)c1.
What is the InChIKey of 4-(2-tert-butyl-4-ethylphenoxy)pyrimidin-2-amine?
The InChIKey is MMZBKDGVSFRSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-11-6-7-13(12(10-11)16(2,3)4)20-14-8-9-18-15(17)19-14/h6-10H,5H2,1-4H3,(H2,17,18,19).
What are the key properties of 4-(2-tert-butyl-4-ethylphenoxy)pyrimidin-2-amine?
4-(2-tert-butyl-4-ethylphenoxy)pyrimidin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-4-ethylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80862418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).