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

C9H9F3IN3 — CID 66320184

IUPACN-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESFC(F)(F)CN(c1ncncc1I)C1CC1
InChIInChI=1S/C9H9F3IN3/c10-9(11,12)4-16(6-1-2-6)8-7(13)3-14-5-15-8/h3,5-6H,1-2,4H2
InChIKeyIVAXHQUIRJPFFV-UHFFFAOYSA-N
MW343.09 g/mol
LogP2.61
Rot. Bonds3

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

N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 66320184) has the molecular formula C9H9F3IN3 and a molecular weight of 343.09 g/mol. Its IUPAC name is N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID66320184
Molecular FormulaC9H9F3IN3
Molecular Weight343.09 g/mol
Exact Mass342.98
IUPAC NameN-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESFC(F)(F)CN(c1ncncc1I)C1CC1
InChIInChI=1S/C9H9F3IN3/c10-9(11,12)4-16(6-1-2-6)8-7(13)3-14-5-15-8/h3,5-6H,1-2,4H2
InChIKeyIVAXHQUIRJPFFV-UHFFFAOYSA-N
XLogP2.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.09
LogP ≤ 52.61
H-Bond Donors ≤ 50
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 N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 66320184) is N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is FC(F)(F)CN(c1ncncc1I)C1CC1.
What is the InChIKey of N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is IVAXHQUIRJPFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3IN3/c10-9(11,12)4-16(6-1-2-6)8-7(13)3-14-5-15-8/h3,5-6H,1-2,4H2.
What are the key properties of N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 343.09 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 66320184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).