2-tert-butyl-6-(4-iodophenoxy)-N-methylpyrimidin-4-amine

C15H18IN3O — CID 80966565

IUPAC2-tert-butyl-6-(4-iodophenoxy)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccc(I)cc2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H18IN3O/c1-15(2,3)14-18-12(17-4)9-13(19-14)20-11-7-5-10(16)6-8-11/h5-9H,1-4H3,(H,17,18,19)
InChIKeyATJRWDHEQYJHAA-UHFFFAOYSA-N
MW383.23 g/mol
LogP4.21
Rot. Bonds3

About 2-tert-butyl-6-(4-iodophenoxy)-N-methylpyrimidin-4-amine

2-tert-butyl-6-(4-iodophenoxy)-N-methylpyrimidin-4-amine (PubChem CID 80966565) has the molecular formula C15H18IN3O and a molecular weight of 383.23 g/mol. Its IUPAC name is 2-tert-butyl-6-(4-iodophenoxy)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(4-iodophenoxy)-N-methylpyrimidin-4-amine
PubChem CID80966565
Molecular FormulaC15H18IN3O
Molecular Weight383.23 g/mol
Exact Mass383.05
IUPAC Name2-tert-butyl-6-(4-iodophenoxy)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccc(I)cc2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H18IN3O/c1-15(2,3)14-18-12(17-4)9-13(19-14)20-11-7-5-10(16)6-8-11/h5-9H,1-4H3,(H,17,18,19)
InChIKeyATJRWDHEQYJHAA-UHFFFAOYSA-N
XLogP4.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-tert-butyl-6-(4-iodophenoxy)-N-methylpyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-tert-butyl-6-(3-chloro-4-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80965877
2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80965315
[2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80968447
2-tert-butyl-6-(2-chloro-4-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80957916
2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine
CID 80966607
6-(3-chloro-4-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774577
2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine
CID 80949039
6-(4-chlorophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80863637
6-(3,5-dichlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774251
2,6-ditert-butyl-N-methylpyrimidin-4-amine
CID 62192327
[2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 80979164
N-ethyl-6-(4-iodophenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719878

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(4-iodophenoxy)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(4-iodophenoxy)-N-methylpyrimidin-4-amine (CID 80966565) is 2-tert-butyl-6-(4-iodophenoxy)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(4-iodophenoxy)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(4-iodophenoxy)-N-methylpyrimidin-4-amine is CNc1cc(Oc2ccc(I)cc2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(4-iodophenoxy)-N-methylpyrimidin-4-amine?
The InChIKey is ATJRWDHEQYJHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3O/c1-15(2,3)14-18-12(17-4)9-13(19-14)20-11-7-5-10(16)6-8-11/h5-9H,1-4H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-6-(4-iodophenoxy)-N-methylpyrimidin-4-amine?
2-tert-butyl-6-(4-iodophenoxy)-N-methylpyrimidin-4-amine has a molecular weight of 383.23 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(4-iodophenoxy)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80966565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).