N-ethyl-5-iodo-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

C11H15F3IN3O — CID 79964165

IUPACN-ethyl-5-iodo-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCNc1nc(CCC(F)(F)F)nc(COC)c1I
InChIInChI=1S/C11H15F3IN3O/c1-3-16-10-9(15)7(6-19-2)17-8(18-10)4-5-11(12,13)14/h3-6H2,1-2H3,(H,16,17,18)
InChIKeyZJNZXTDPMZVUSS-UHFFFAOYSA-N
MW389.16 g/mol
LogP3.15
Rot. Bonds6

About N-ethyl-5-iodo-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

N-ethyl-5-iodo-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 79964165) has the molecular formula C11H15F3IN3O and a molecular weight of 389.16 g/mol. Its IUPAC name is N-ethyl-5-iodo-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID79964165
Molecular FormulaC11H15F3IN3O
Molecular Weight389.16 g/mol
Exact Mass389.02
IUPAC NameN-ethyl-5-iodo-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCNc1nc(CCC(F)(F)F)nc(COC)c1I
InChIInChI=1S/C11H15F3IN3O/c1-3-16-10-9(15)7(6-19-2)17-8(18-10)4-5-11(12,13)14/h3-6H2,1-2H3,(H,16,17,18)
InChIKeyZJNZXTDPMZVUSS-UHFFFAOYSA-N
XLogP3.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.16
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-5-iodo-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 79964165) is N-ethyl-5-iodo-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is CCNc1nc(CCC(F)(F)F)nc(COC)c1I.
What is the InChIKey of N-ethyl-5-iodo-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is ZJNZXTDPMZVUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3IN3O/c1-3-16-10-9(15)7(6-19-2)17-8(18-10)4-5-11(12,13)14/h3-6H2,1-2H3,(H,16,17,18).
What are the key properties of N-ethyl-5-iodo-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
N-ethyl-5-iodo-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 389.16 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 79964165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).