6-tert-butyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C11H15F3IN3 — CID 66299800

IUPAC6-tert-butyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCNc1nc(CC(F)(F)F)nc(C(C)(C)C)c1I
InChIInChI=1S/C11H15F3IN3/c1-10(2,3)8-7(15)9(16-4)18-6(17-8)5-11(12,13)14/h5H2,1-4H3,(H,16,17,18)
InChIKeyWRGDNZNPFPAAMS-UHFFFAOYSA-N
MW373.16 g/mol
LogP3.53
Rot. Bonds2

About 6-tert-butyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-tert-butyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 66299800) has the molecular formula C11H15F3IN3 and a molecular weight of 373.16 g/mol. Its IUPAC name is 6-tert-butyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID66299800
Molecular FormulaC11H15F3IN3
Molecular Weight373.16 g/mol
Exact Mass373.03
IUPAC Name6-tert-butyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCNc1nc(CC(F)(F)F)nc(C(C)(C)C)c1I
InChIInChI=1S/C11H15F3IN3/c1-10(2,3)8-7(15)9(16-4)18-6(17-8)5-11(12,13)14/h5H2,1-4H3,(H,16,17,18)
InChIKeyWRGDNZNPFPAAMS-UHFFFAOYSA-N
XLogP3.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.16
LogP ≤ 53.53
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-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 66299800) is 6-tert-butyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CNc1nc(CC(F)(F)F)nc(C(C)(C)C)c1I.
What is the InChIKey of 6-tert-butyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is WRGDNZNPFPAAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3IN3/c1-10(2,3)8-7(15)9(16-4)18-6(17-8)5-11(12,13)14/h5H2,1-4H3,(H,16,17,18).
What are the key properties of 6-tert-butyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-tert-butyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 373.16 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 66299800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).