2-(4-tert-butyl-2-methylphenoxy)pyrimidin-5-amine

C15H19N3O — CID 61146941

IUPAC2-(4-tert-butyl-2-methylphenoxy)pyrimidin-5-amine
SMILESCc1cc(C(C)(C)C)ccc1Oc1ncc(N)cn1
InChIInChI=1S/C15H19N3O/c1-10-7-11(15(2,3)4)5-6-13(10)19-14-17-8-12(16)9-18-14/h5-9H,16H2,1-4H3
InChIKeyUYFGJKJGMCGZSF-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.46
Rot. Bonds2

About 2-(4-tert-butyl-2-methylphenoxy)pyrimidin-5-amine

2-(4-tert-butyl-2-methylphenoxy)pyrimidin-5-amine (PubChem CID 61146941) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenoxy)pyrimidin-5-amine
PubChem CID61146941
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(4-tert-butyl-2-methylphenoxy)pyrimidin-5-amine
SMILESCc1cc(C(C)(C)C)ccc1Oc1ncc(N)cn1
InChIInChI=1S/C15H19N3O/c1-10-7-11(15(2,3)4)5-6-13(10)19-14-17-8-12(16)9-18-14/h5-9H,16H2,1-4H3
InChIKeyUYFGJKJGMCGZSF-UHFFFAOYSA-N
XLogP3.46
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(bromomethyl)-2-(4-tert-butyl-2-methylphenoxy)pyrimidine
CID 107087606
5-bromo-6-(4-tert-butyl-2-methylphenoxy)pyridin-3-amine
CID 79534852
6-(4-tert-butyl-2-methylphenoxy)-4-methylpyridin-3-amine
CID 79175695
2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine
CID 61146611
6-(4-tert-butyl-2-methylphenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80874854
2-(4-tert-butyl-2-methylphenoxy)-5-iodoaniline
CID 66080569
1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]pyrazol-4-amine
CID 62138648
4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80875939
3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine
CID 114837638
2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine
CID 79727810
2-(4-tert-butyl-2-methylphenoxy)-4-methyl-6-(trifluoromethyl)pyrimidine
CID 157357381
[4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine
CID 63456904

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)pyrimidin-5-amine?
The IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)pyrimidin-5-amine (CID 61146941) is 2-(4-tert-butyl-2-methylphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenoxy)pyrimidin-5-amine?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenoxy)pyrimidin-5-amine is Cc1cc(C(C)(C)C)ccc1Oc1ncc(N)cn1.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenoxy)pyrimidin-5-amine?
The InChIKey is UYFGJKJGMCGZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-7-11(15(2,3)4)5-6-13(10)19-14-17-8-12(16)9-18-14/h5-9H,16H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-2-methylphenoxy)pyrimidin-5-amine?
2-(4-tert-butyl-2-methylphenoxy)pyrimidin-5-amine has a molecular weight of 257.34 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 61146941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).