4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine

C12H11F3N6O — CID 177165344

IUPAC4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCOc1ncnc(C2CC2)c1-c1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C12H11F3N6O/c1-22-9-6(7(5-2-3-5)17-4-18-9)8-19-10(12(13,14)15)21-11(16)20-8/h4-5H,2-3H2,1H3,(H2,16,19,20,21)
InChIKeyFORNZDPACIOPRX-UHFFFAOYSA-N
MW312.26 g/mol
LogP1.82
Rot. Bonds3

About 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine

4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 177165344) has the molecular formula C12H11F3N6O and a molecular weight of 312.26 g/mol. Its IUPAC name is 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID177165344
Molecular FormulaC12H11F3N6O
Molecular Weight312.26 g/mol
Exact Mass312.09
IUPAC Name4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCOc1ncnc(C2CC2)c1-c1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C12H11F3N6O/c1-22-9-6(7(5-2-3-5)17-4-18-9)8-19-10(12(13,14)15)21-11(16)20-8/h4-5H,2-3H2,1H3,(H2,16,19,20,21)
InChIKeyFORNZDPACIOPRX-UHFFFAOYSA-N
XLogP1.82
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 177165344) is 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is COc1ncnc(C2CC2)c1-c1nc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is FORNZDPACIOPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N6O/c1-22-9-6(7(5-2-3-5)17-4-18-9)8-19-10(12(13,14)15)21-11(16)20-8/h4-5H,2-3H2,1H3,(H2,16,19,20,21).
What are the key properties of 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 312.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 177165344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).