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

C9H9F3IN3 — CID 66303992

IUPAC6-cyclopropyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESNc1nc(CC(F)(F)F)nc(C2CC2)c1I
InChIInChI=1S/C9H9F3IN3/c10-9(11,12)3-5-15-7(4-1-2-4)6(13)8(14)16-5/h4H,1-3H2,(H2,14,15,16)
InChIKeyHUYVZKZZLDPJEM-UHFFFAOYSA-N
MW343.09 g/mol
LogP2.65
Rot. Bonds2

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

6-cyclopropyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 66303992) has the molecular formula C9H9F3IN3 and a molecular weight of 343.09 g/mol. Its IUPAC name is 6-cyclopropyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID66303992
Molecular FormulaC9H9F3IN3
Molecular Weight343.09 g/mol
Exact Mass342.98
IUPAC Name6-cyclopropyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESNc1nc(CC(F)(F)F)nc(C2CC2)c1I
InChIInChI=1S/C9H9F3IN3/c10-9(11,12)3-5-15-7(4-1-2-4)6(13)8(14)16-5/h4H,1-3H2,(H2,14,15,16)
InChIKeyHUYVZKZZLDPJEM-UHFFFAOYSA-N
XLogP2.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.09
LogP ≤ 52.65
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-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 66303992) is 6-cyclopropyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is Nc1nc(CC(F)(F)F)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is HUYVZKZZLDPJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3IN3/c10-9(11,12)3-5-15-7(4-1-2-4)6(13)8(14)16-5/h4H,1-3H2,(H2,14,15,16).
What are the key properties of 6-cyclopropyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-cyclopropyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 343.09 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 66303992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).