N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2-difluoropropanamide

C10H11Cl2F2N3OS — CID 123728866

IUPACN-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2-difluoropropanamide
SMILESCCCSc1nc(Cl)c(NC(=O)C(C)(F)F)c(Cl)n1
InChIInChI=1S/C10H11Cl2F2N3OS/c1-3-4-19-9-16-6(11)5(7(12)17-9)15-8(18)10(2,13)14/h3-4H2,1-2H3,(H,15,18)
InChIKeyFJXHRPLXMCDXCC-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.88
Rot. Bonds5

About N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2-difluoropropanamide

N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2-difluoropropanamide (PubChem CID 123728866) has the molecular formula C10H11Cl2F2N3OS and a molecular weight of 330.19 g/mol. Its IUPAC name is N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2-difluoropropanamide
PubChem CID123728866
Molecular FormulaC10H11Cl2F2N3OS
Molecular Weight330.19 g/mol
Exact Mass329.00
IUPAC NameN-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2-difluoropropanamide
SMILESCCCSc1nc(Cl)c(NC(=O)C(C)(F)F)c(Cl)n1
InChIInChI=1S/C10H11Cl2F2N3OS/c1-3-4-19-9-16-6(11)5(7(12)17-9)15-8(18)10(2,13)14/h3-4H2,1-2H3,(H,15,18)
InChIKeyFJXHRPLXMCDXCC-UHFFFAOYSA-N
XLogP3.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2-difluoropropanamide?
The IUPAC name of N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2-difluoropropanamide (CID 123728866) is N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2-difluoropropanamide.
What is the SMILES notation for N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2-difluoropropanamide?
The canonical SMILES for N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2-difluoropropanamide is CCCSc1nc(Cl)c(NC(=O)C(C)(F)F)c(Cl)n1.
What is the InChIKey of N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2-difluoropropanamide?
The InChIKey is FJXHRPLXMCDXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2F2N3OS/c1-3-4-19-9-16-6(11)5(7(12)17-9)15-8(18)10(2,13)14/h3-4H2,1-2H3,(H,15,18).
What are the key properties of N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2-difluoropropanamide?
N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2-difluoropropanamide has a molecular weight of 330.19 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2-difluoropropanamide is sourced from PubChem (CID 123728866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).