3-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]propanamide

C13H17N5OS — CID 56861221

IUPAC3-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]propanamide
SMILESCCCSc1ncc(-c2nccn2CCC(N)=O)cn1
InChIInChI=1S/C13H17N5OS/c1-2-7-20-13-16-8-10(9-17-13)12-15-4-6-18(12)5-3-11(14)19/h4,6,8-9H,2-3,5,7H2,1H3,(H2,14,19)
InChIKeyCKDHWZVMOIEOFY-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.72
Rot. Bonds7

About 3-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]propanamide

3-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]propanamide (PubChem CID 56861221) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]propanamide
PubChem CID56861221
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name3-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]propanamide
SMILESCCCSc1ncc(-c2nccn2CCC(N)=O)cn1
InChIInChI=1S/C13H17N5OS/c1-2-7-20-13-16-8-10(9-17-13)12-15-4-6-18(12)5-3-11(14)19/h4,6,8-9H,2-3,5,7H2,1H3,(H2,14,19)
InChIKeyCKDHWZVMOIEOFY-UHFFFAOYSA-N
XLogP1.72
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]propanamide?
The IUPAC name of 3-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]propanamide (CID 56861221) is 3-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]propanamide.
What is the SMILES notation for 3-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]propanamide?
The canonical SMILES for 3-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]propanamide is CCCSc1ncc(-c2nccn2CCC(N)=O)cn1.
What is the InChIKey of 3-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]propanamide?
The InChIKey is CKDHWZVMOIEOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-2-7-20-13-16-8-10(9-17-13)12-15-4-6-18(12)5-3-11(14)19/h4,6,8-9H,2-3,5,7H2,1H3,(H2,14,19).
What are the key properties of 3-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]propanamide?
3-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]propanamide has a molecular weight of 291.38 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]propanamide is sourced from PubChem (CID 56861221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).