4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine

C15H18ClN3O2 — CID 80867099

IUPAC4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine
SMILESCOc1ccc(Oc2nc(N)ncc2Cl)c(C(C)(C)C)c1
InChIInChI=1S/C15H18ClN3O2/c1-15(2,3)10-7-9(20-4)5-6-12(10)21-13-11(16)8-18-14(17)19-13/h5-8H,1-4H3,(H2,17,18,19)
InChIKeyGEBCJYSNZGBOFJ-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.81
Rot. Bonds3

About 4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine

4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine (PubChem CID 80867099) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine
PubChem CID80867099
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine
SMILESCOc1ccc(Oc2nc(N)ncc2Cl)c(C(C)(C)C)c1
InChIInChI=1S/C15H18ClN3O2/c1-15(2,3)10-7-9(20-4)5-6-12(10)21-13-11(16)8-18-14(17)19-13/h5-8H,1-4H3,(H2,17,18,19)
InChIKeyGEBCJYSNZGBOFJ-UHFFFAOYSA-N
XLogP3.81
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine?
The IUPAC name of 4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine (CID 80867099) is 4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine.
What is the SMILES notation for 4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine?
The canonical SMILES for 4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine is COc1ccc(Oc2nc(N)ncc2Cl)c(C(C)(C)C)c1.
What is the InChIKey of 4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine?
The InChIKey is GEBCJYSNZGBOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-15(2,3)10-7-9(20-4)5-6-12(10)21-13-11(16)8-18-14(17)19-13/h5-8H,1-4H3,(H2,17,18,19).
What are the key properties of 4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine?
4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine has a molecular weight of 307.78 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine is sourced from PubChem (CID 80867099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).