2-tert-butyl-6-(2-methoxyphenoxy)pyrimidin-4-amine

C15H19N3O2 — CID 80965893

IUPAC2-tert-butyl-6-(2-methoxyphenoxy)pyrimidin-4-amine
SMILESCOc1ccccc1Oc1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)14-17-12(16)9-13(18-14)20-11-8-6-5-7-10(11)19-4/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyHYKPNALTEUIVFO-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.16
Rot. Bonds3

About 2-tert-butyl-6-(2-methoxyphenoxy)pyrimidin-4-amine

2-tert-butyl-6-(2-methoxyphenoxy)pyrimidin-4-amine (PubChem CID 80965893) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-methoxyphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(2-methoxyphenoxy)pyrimidin-4-amine
PubChem CID80965893
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-tert-butyl-6-(2-methoxyphenoxy)pyrimidin-4-amine
SMILESCOc1ccccc1Oc1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)14-17-12(16)9-13(18-14)20-11-8-6-5-7-10(11)19-4/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyHYKPNALTEUIVFO-UHFFFAOYSA-N
XLogP3.16
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-methoxyphenoxy)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(2-methoxyphenoxy)pyrimidin-4-amine (CID 80965893) is 2-tert-butyl-6-(2-methoxyphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(2-methoxyphenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(2-methoxyphenoxy)pyrimidin-4-amine is COc1ccccc1Oc1cc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(2-methoxyphenoxy)pyrimidin-4-amine?
The InChIKey is HYKPNALTEUIVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,3)14-17-12(16)9-13(18-14)20-11-8-6-5-7-10(11)19-4/h5-9H,1-4H3,(H2,16,17,18).
What are the key properties of 2-tert-butyl-6-(2-methoxyphenoxy)pyrimidin-4-amine?
2-tert-butyl-6-(2-methoxyphenoxy)pyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2-methoxyphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80965893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).