5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine

C10H13F3IN3O2 — CID 103476310

IUPAC5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
SMILESCNc1nc(COCC(F)(F)F)nc(COC)c1I
InChIInChI=1S/C10H13F3IN3O2/c1-15-9-8(14)6(3-18-2)16-7(17-9)4-19-5-10(11,12)13/h3-5H2,1-2H3,(H,15,16,17)
InChIKeyJTLRYFJSLDDRRU-UHFFFAOYSA-N
MW391.13 g/mol
LogP2.35
Rot. Bonds6

About 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine

5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine (PubChem CID 103476310) has the molecular formula C10H13F3IN3O2 and a molecular weight of 391.13 g/mol. Its IUPAC name is 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
PubChem CID103476310
Molecular FormulaC10H13F3IN3O2
Molecular Weight391.13 g/mol
Exact Mass391.00
IUPAC Name5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
SMILESCNc1nc(COCC(F)(F)F)nc(COC)c1I
InChIInChI=1S/C10H13F3IN3O2/c1-15-9-8(14)6(3-18-2)16-7(17-9)4-19-5-10(11,12)13/h3-5H2,1-2H3,(H,15,16,17)
InChIKeyJTLRYFJSLDDRRU-UHFFFAOYSA-N
XLogP2.35
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.13
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)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 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine (CID 103476310) is 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine is CNc1nc(COCC(F)(F)F)nc(COC)c1I.
What is the InChIKey of 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The InChIKey is JTLRYFJSLDDRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3IN3O2/c1-15-9-8(14)6(3-18-2)16-7(17-9)4-19-5-10(11,12)13/h3-5H2,1-2H3,(H,15,16,17).
What are the key properties of 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine has a molecular weight of 391.13 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 103476310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).