N-cyclohexyl-3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanamide

C16H23F2N3OS — CID 9138515

IUPACN-cyclohexyl-3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanamide
SMILESCc1nc(SC(F)F)nc(C)c1CCC(=O)NC1CCCCC1
InChIInChI=1S/C16H23F2N3OS/c1-10-13(11(2)20-16(19-10)23-15(17)18)8-9-14(22)21-12-6-4-3-5-7-12/h12,15H,3-9H2,1-2H3,(H,21,22)
InChIKeyJVFINNYGSSTHPB-UHFFFAOYSA-N
MW343.44 g/mol
LogP3.79
Rot. Bonds6

About N-cyclohexyl-3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanamide

N-cyclohexyl-3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanamide (PubChem CID 9138515) has the molecular formula C16H23F2N3OS and a molecular weight of 343.44 g/mol. Its IUPAC name is N-cyclohexyl-3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanamide
PubChem CID9138515
Molecular FormulaC16H23F2N3OS
Molecular Weight343.44 g/mol
Exact Mass343.15
IUPAC NameN-cyclohexyl-3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanamide
SMILESCc1nc(SC(F)F)nc(C)c1CCC(=O)NC1CCCCC1
InChIInChI=1S/C16H23F2N3OS/c1-10-13(11(2)20-16(19-10)23-15(17)18)8-9-14(22)21-12-6-4-3-5-7-12/h12,15H,3-9H2,1-2H3,(H,21,22)
InChIKeyJVFINNYGSSTHPB-UHFFFAOYSA-N
XLogP3.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanamide (CID 9138515) is N-cyclohexyl-3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanamide is Cc1nc(SC(F)F)nc(C)c1CCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanamide?
The InChIKey is JVFINNYGSSTHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3OS/c1-10-13(11(2)20-16(19-10)23-15(17)18)8-9-14(22)21-12-6-4-3-5-7-12/h12,15H,3-9H2,1-2H3,(H,21,22).
What are the key properties of N-cyclohexyl-3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanamide?
N-cyclohexyl-3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanamide has a molecular weight of 343.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanamide is sourced from PubChem (CID 9138515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).