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

C9H11Cl2N3OS — CID 141358250

IUPACN-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)acetamide
SMILESCCCSc1nc(Cl)c(NC(C)=O)c(Cl)n1
InChIInChI=1S/C9H11Cl2N3OS/c1-3-4-16-9-13-7(10)6(8(11)14-9)12-5(2)15/h3-4H2,1-2H3,(H,12,15)
InChIKeySHHYCGMDZBQZDI-UHFFFAOYSA-N
MW280.18 g/mol
LogP3.24
Rot. Bonds4

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

N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)acetamide (PubChem CID 141358250) has the molecular formula C9H11Cl2N3OS and a molecular weight of 280.18 g/mol. Its IUPAC name is N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)acetamide
PubChem CID141358250
Molecular FormulaC9H11Cl2N3OS
Molecular Weight280.18 g/mol
Exact Mass279.00
IUPAC NameN-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)acetamide
SMILESCCCSc1nc(Cl)c(NC(C)=O)c(Cl)n1
InChIInChI=1S/C9H11Cl2N3OS/c1-3-4-16-9-13-7(10)6(8(11)14-9)12-5(2)15/h3-4H2,1-2H3,(H,12,15)
InChIKeySHHYCGMDZBQZDI-UHFFFAOYSA-N
XLogP3.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 53.24
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)acetamide?
The IUPAC name of N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)acetamide (CID 141358250) is N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)acetamide?
The canonical SMILES for N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)acetamide is CCCSc1nc(Cl)c(NC(C)=O)c(Cl)n1.
What is the InChIKey of N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)acetamide?
The InChIKey is SHHYCGMDZBQZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3OS/c1-3-4-16-9-13-7(10)6(8(11)14-9)12-5(2)15/h3-4H2,1-2H3,(H,12,15).
What are the key properties of N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)acetamide?
N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)acetamide has a molecular weight of 280.18 g/mol, XLogP of 3.24, 4 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)acetamide is sourced from PubChem (CID 141358250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).