4-cyclopropyl-N-hexyl-6-(trifluoromethyl)pyrimidin-2-amine

C14H20F3N3 — CID 44821338

IUPAC4-cyclopropyl-N-hexyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCCCCNc1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N3/c1-2-3-4-5-8-18-13-19-11(10-6-7-10)9-12(20-13)14(15,16)17/h9-10H,2-8H2,1H3,(H,18,19,20)
InChIKeyLKYSSCVTAVMUPF-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.36
Rot. Bonds7

About 4-cyclopropyl-N-hexyl-6-(trifluoromethyl)pyrimidin-2-amine

4-cyclopropyl-N-hexyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 44821338) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-cyclopropyl-N-hexyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-hexyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID44821338
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name4-cyclopropyl-N-hexyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCCCCNc1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N3/c1-2-3-4-5-8-18-13-19-11(10-6-7-10)9-12(20-13)14(15,16)17/h9-10H,2-8H2,1H3,(H,18,19,20)
InChIKeyLKYSSCVTAVMUPF-UHFFFAOYSA-N
XLogP4.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-hexyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-N-hexyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 44821338) is 4-cyclopropyl-N-hexyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-hexyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-N-hexyl-6-(trifluoromethyl)pyrimidin-2-amine is CCCCCCNc1nc(C2CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-cyclopropyl-N-hexyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is LKYSSCVTAVMUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-2-3-4-5-8-18-13-19-11(10-6-7-10)9-12(20-13)14(15,16)17/h9-10H,2-8H2,1H3,(H,18,19,20).
What are the key properties of 4-cyclopropyl-N-hexyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-cyclopropyl-N-hexyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 287.33 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-hexyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 44821338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).