6-(2-tert-butyl-4-ethylphenoxy)pyrimidine-2,4-diamine

C16H22N4O — CID 80866692

IUPAC6-(2-tert-butyl-4-ethylphenoxy)pyrimidine-2,4-diamine
SMILESCCc1ccc(Oc2cc(N)nc(N)n2)c(C(C)(C)C)c1
InChIInChI=1S/C16H22N4O/c1-5-10-6-7-12(11(8-10)16(2,3)4)21-14-9-13(17)19-15(18)20-14/h6-9H,5H2,1-4H3,(H4,17,18,19,20)
InChIKeyRZXNZPHXSMJBEZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.29
Rot. Bonds3

About 6-(2-tert-butyl-4-ethylphenoxy)pyrimidine-2,4-diamine

6-(2-tert-butyl-4-ethylphenoxy)pyrimidine-2,4-diamine (PubChem CID 80866692) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-(2-tert-butyl-4-ethylphenoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-tert-butyl-4-ethylphenoxy)pyrimidine-2,4-diamine
PubChem CID80866692
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name6-(2-tert-butyl-4-ethylphenoxy)pyrimidine-2,4-diamine
SMILESCCc1ccc(Oc2cc(N)nc(N)n2)c(C(C)(C)C)c1
InChIInChI=1S/C16H22N4O/c1-5-10-6-7-12(11(8-10)16(2,3)4)21-14-9-13(17)19-15(18)20-14/h6-9H,5H2,1-4H3,(H4,17,18,19,20)
InChIKeyRZXNZPHXSMJBEZ-UHFFFAOYSA-N
XLogP3.29
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-tert-butyl-4-ethylphenoxy)pyrimidin-2-amine
CID 80862418
5-(2-tert-butyl-4-ethylphenoxy)pyrazin-2-amine
CID 80663583
6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine
CID 80862736
4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine
CID 63504492
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 103176389
[6-(2-tert-butyl-4-ethylphenoxy)pyrazin-2-yl]hydrazine
CID 80909040
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)-5-methylpyridin-3-amine
CID 63458814
6-[(2-tert-butyl-4-ethylphenoxy)methyl]pyridin-2-amine
CID 79234211
4-(2-tert-butyl-4-ethylphenoxy)benzonitrile
CID 20989459
2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole
CID 64625478

Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butyl-4-ethylphenoxy)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2-tert-butyl-4-ethylphenoxy)pyrimidine-2,4-diamine (CID 80866692) is 6-(2-tert-butyl-4-ethylphenoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-tert-butyl-4-ethylphenoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-tert-butyl-4-ethylphenoxy)pyrimidine-2,4-diamine is CCc1ccc(Oc2cc(N)nc(N)n2)c(C(C)(C)C)c1.
What is the InChIKey of 6-(2-tert-butyl-4-ethylphenoxy)pyrimidine-2,4-diamine?
The InChIKey is RZXNZPHXSMJBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-10-6-7-12(11(8-10)16(2,3)4)21-14-9-13(17)19-15(18)20-14/h6-9H,5H2,1-4H3,(H4,17,18,19,20).
What are the key properties of 6-(2-tert-butyl-4-ethylphenoxy)pyrimidine-2,4-diamine?
6-(2-tert-butyl-4-ethylphenoxy)pyrimidine-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tert-butyl-4-ethylphenoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 80866692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).