6-tert-butyl-2-(3,5-dimethylphenyl)-5-iodopyrimidin-4-amine

C16H20IN3 — CID 66296933

IUPAC6-tert-butyl-2-(3,5-dimethylphenyl)-5-iodopyrimidin-4-amine
SMILESCc1cc(C)cc(-c2nc(N)c(I)c(C(C)(C)C)n2)c1
InChIInChI=1S/C16H20IN3/c1-9-6-10(2)8-11(7-9)15-19-13(16(3,4)5)12(17)14(18)20-15/h6-8H,1-5H3,(H2,18,19,20)
InChIKeyDXZZZRPMSIDRIQ-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.24
Rot. Bonds1

About 6-tert-butyl-2-(3,5-dimethylphenyl)-5-iodopyrimidin-4-amine

6-tert-butyl-2-(3,5-dimethylphenyl)-5-iodopyrimidin-4-amine (PubChem CID 66296933) has the molecular formula C16H20IN3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 6-tert-butyl-2-(3,5-dimethylphenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(3,5-dimethylphenyl)-5-iodopyrimidin-4-amine
PubChem CID66296933
Molecular FormulaC16H20IN3
Molecular Weight381.26 g/mol
Exact Mass381.07
IUPAC Name6-tert-butyl-2-(3,5-dimethylphenyl)-5-iodopyrimidin-4-amine
SMILESCc1cc(C)cc(-c2nc(N)c(I)c(C(C)(C)C)n2)c1
InChIInChI=1S/C16H20IN3/c1-9-6-10(2)8-11(7-9)15-19-13(16(3,4)5)12(17)14(18)20-15/h6-8H,1-5H3,(H2,18,19,20)
InChIKeyDXZZZRPMSIDRIQ-UHFFFAOYSA-N
XLogP4.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(3,5-dimethylphenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(3,5-dimethylphenyl)-5-iodopyrimidin-4-amine (CID 66296933) is 6-tert-butyl-2-(3,5-dimethylphenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(3,5-dimethylphenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(3,5-dimethylphenyl)-5-iodopyrimidin-4-amine is Cc1cc(C)cc(-c2nc(N)c(I)c(C(C)(C)C)n2)c1.
What is the InChIKey of 6-tert-butyl-2-(3,5-dimethylphenyl)-5-iodopyrimidin-4-amine?
The InChIKey is DXZZZRPMSIDRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3/c1-9-6-10(2)8-11(7-9)15-19-13(16(3,4)5)12(17)14(18)20-15/h6-8H,1-5H3,(H2,18,19,20).
What are the key properties of 6-tert-butyl-2-(3,5-dimethylphenyl)-5-iodopyrimidin-4-amine?
6-tert-butyl-2-(3,5-dimethylphenyl)-5-iodopyrimidin-4-amine has a molecular weight of 381.26 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(3,5-dimethylphenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66296933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).