N-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

C15H26N4OS — CID 2496710

IUPACN-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCCN(CC)CCCNC(=O)CSc1nc(C)cc(C)n1
InChIInChI=1S/C15H26N4OS/c1-5-19(6-2)9-7-8-16-14(20)11-21-15-17-12(3)10-13(4)18-15/h10H,5-9,11H2,1-4H3,(H,16,20)
InChIKeyOEVZKRPKGVKIDV-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.03
Rot. Bonds9

About N-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

N-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2496710) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2496710
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC NameN-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCCN(CC)CCCNC(=O)CSc1nc(C)cc(C)n1
InChIInChI=1S/C15H26N4OS/c1-5-19(6-2)9-7-8-16-14(20)11-21-15-17-12(3)10-13(4)18-15/h10H,5-9,11H2,1-4H3,(H,16,20)
InChIKeyOEVZKRPKGVKIDV-UHFFFAOYSA-N
XLogP2.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CID 2496710) is N-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is CCN(CC)CCCNC(=O)CSc1nc(C)cc(C)n1.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is OEVZKRPKGVKIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-5-19(6-2)9-7-8-16-14(20)11-21-15-17-12(3)10-13(4)18-15/h10H,5-9,11H2,1-4H3,(H,16,20).
What are the key properties of N-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
N-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 310.47 g/mol, XLogP of 2.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2496710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).