5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C10H13F3IN3 — CID 66299353

IUPAC5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCNc1nc(CC(F)(F)F)nc(C(C)C)c1I
InChIInChI=1S/C10H13F3IN3/c1-5(2)8-7(14)9(15-3)17-6(16-8)4-10(11,12)13/h5H,4H2,1-3H3,(H,15,16,17)
InChIKeyFJSDEGISWJMHKB-UHFFFAOYSA-N
MW359.13 g/mol
LogP3.35
Rot. Bonds3

About 5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 66299353) has the molecular formula C10H13F3IN3 and a molecular weight of 359.13 g/mol. Its IUPAC name is 5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID66299353
Molecular FormulaC10H13F3IN3
Molecular Weight359.13 g/mol
Exact Mass359.01
IUPAC Name5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCNc1nc(CC(F)(F)F)nc(C(C)C)c1I
InChIInChI=1S/C10H13F3IN3/c1-5(2)8-7(14)9(15-3)17-6(16-8)4-10(11,12)13/h5H,4H2,1-3H3,(H,15,16,17)
InChIKeyFJSDEGISWJMHKB-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.13
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethyl)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-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 66299353) is 5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CNc1nc(CC(F)(F)F)nc(C(C)C)c1I.
What is the InChIKey of 5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is FJSDEGISWJMHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3IN3/c1-5(2)8-7(14)9(15-3)17-6(16-8)4-10(11,12)13/h5H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 359.13 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 66299353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).