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

C10H11F3IN3 — CID 66301958

IUPAC6-cyclopropyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCNc1nc(CC(F)(F)F)nc(C2CC2)c1I
InChIInChI=1S/C10H11F3IN3/c1-15-9-7(14)8(5-2-3-5)16-6(17-9)4-10(11,12)13/h5H,2-4H2,1H3,(H,15,16,17)
InChIKeyAEJMFLSBFQPKFK-UHFFFAOYSA-N
MW357.12 g/mol
LogP3.11
Rot. Bonds3

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

6-cyclopropyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 66301958) has the molecular formula C10H11F3IN3 and a molecular weight of 357.12 g/mol. Its IUPAC name is 6-cyclopropyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID66301958
Molecular FormulaC10H11F3IN3
Molecular Weight357.12 g/mol
Exact Mass356.99
IUPAC Name6-cyclopropyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCNc1nc(CC(F)(F)F)nc(C2CC2)c1I
InChIInChI=1S/C10H11F3IN3/c1-15-9-7(14)8(5-2-3-5)16-6(17-9)4-10(11,12)13/h5H,2-4H2,1H3,(H,15,16,17)
InChIKeyAEJMFLSBFQPKFK-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.12
LogP ≤ 53.11
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-cyclopropyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 66301958) is 6-cyclopropyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CNc1nc(CC(F)(F)F)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is AEJMFLSBFQPKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3IN3/c1-15-9-7(14)8(5-2-3-5)16-6(17-9)4-10(11,12)13/h5H,2-4H2,1H3,(H,15,16,17).
What are the key properties of 6-cyclopropyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-cyclopropyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 357.12 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 66301958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).