N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,3,3-trifluoropropanamide

C15H20F3N3O2 — CID 90634878

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,3,3-trifluoropropanamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)CC(F)(F)F)CC2)n1
InChIInChI=1S/C15H20F3N3O2/c1-9-7-10(2)20-14(19-9)23-12-5-3-11(4-6-12)21-13(22)8-15(16,17)18/h7,11-12H,3-6,8H2,1-2H3,(H,21,22)
InChIKeyMAKKAOFKZOGGPH-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.85
Rot. Bonds4

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,3,3-trifluoropropanamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,3,3-trifluoropropanamide (PubChem CID 90634878) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,3,3-trifluoropropanamide
PubChem CID90634878
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,3,3-trifluoropropanamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)CC(F)(F)F)CC2)n1
InChIInChI=1S/C15H20F3N3O2/c1-9-7-10(2)20-14(19-9)23-12-5-3-11(4-6-12)21-13(22)8-15(16,17)18/h7,11-12H,3-6,8H2,1-2H3,(H,21,22)
InChIKeyMAKKAOFKZOGGPH-UHFFFAOYSA-N
XLogP2.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,3,3-trifluoropropanamide (CID 90634878) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,3,3-trifluoropropanamide is Cc1cc(C)nc(OC2CCC(NC(=O)CC(F)(F)F)CC2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,3,3-trifluoropropanamide?
The InChIKey is MAKKAOFKZOGGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-9-7-10(2)20-14(19-9)23-12-5-3-11(4-6-12)21-13(22)8-15(16,17)18/h7,11-12H,3-6,8H2,1-2H3,(H,21,22).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,3,3-trifluoropropanamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,3,3-trifluoropropanamide has a molecular weight of 331.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 90634878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).