4-cyclopropyl-6-(3-fluorophenyl)-1,3,5-triazin-2-amine

C12H11FN4 — CID 63868480

IUPAC4-cyclopropyl-6-(3-fluorophenyl)-1,3,5-triazin-2-amine
SMILESNc1nc(-c2cccc(F)c2)nc(C2CC2)n1
InChIInChI=1S/C12H11FN4/c13-9-3-1-2-8(6-9)11-15-10(7-4-5-7)16-12(14)17-11/h1-3,6-7H,4-5H2,(H2,14,15,16,17)
InChIKeyCHRMMJFQZNFAQY-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.14
Rot. Bonds2

About 4-cyclopropyl-6-(3-fluorophenyl)-1,3,5-triazin-2-amine

4-cyclopropyl-6-(3-fluorophenyl)-1,3,5-triazin-2-amine (PubChem CID 63868480) has the molecular formula C12H11FN4 and a molecular weight of 230.25 g/mol. Its IUPAC name is 4-cyclopropyl-6-(3-fluorophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-6-(3-fluorophenyl)-1,3,5-triazin-2-amine
PubChem CID63868480
Molecular FormulaC12H11FN4
Molecular Weight230.25 g/mol
Exact Mass230.10
IUPAC Name4-cyclopropyl-6-(3-fluorophenyl)-1,3,5-triazin-2-amine
SMILESNc1nc(-c2cccc(F)c2)nc(C2CC2)n1
InChIInChI=1S/C12H11FN4/c13-9-3-1-2-8(6-9)11-15-10(7-4-5-7)16-12(14)17-11/h1-3,6-7H,4-5H2,(H2,14,15,16,17)
InChIKeyCHRMMJFQZNFAQY-UHFFFAOYSA-N
XLogP2.14
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(3-fluorophenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopropyl-6-(3-fluorophenyl)-1,3,5-triazin-2-amine (CID 63868480) is 4-cyclopropyl-6-(3-fluorophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopropyl-6-(3-fluorophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopropyl-6-(3-fluorophenyl)-1,3,5-triazin-2-amine is Nc1nc(-c2cccc(F)c2)nc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-6-(3-fluorophenyl)-1,3,5-triazin-2-amine?
The InChIKey is CHRMMJFQZNFAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4/c13-9-3-1-2-8(6-9)11-15-10(7-4-5-7)16-12(14)17-11/h1-3,6-7H,4-5H2,(H2,14,15,16,17).
What are the key properties of 4-cyclopropyl-6-(3-fluorophenyl)-1,3,5-triazin-2-amine?
4-cyclopropyl-6-(3-fluorophenyl)-1,3,5-triazin-2-amine has a molecular weight of 230.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(3-fluorophenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).