N-(1-benzylpyrrolidin-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

C20H26N4OS — CID 43034055

IUPACN-(1-benzylpyrrolidin-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC2CCN(Cc3ccccc3)C2)nc(C)c1C
InChIInChI=1S/C20H26N4OS/c1-14-15(2)21-20(22-16(14)3)26-13-19(25)23-18-9-10-24(12-18)11-17-7-5-4-6-8-17/h4-8,18H,9-13H2,1-3H3,(H,23,25)
InChIKeyRYVUUYNQORGEMM-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.88
Rot. Bonds6

About N-(1-benzylpyrrolidin-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

N-(1-benzylpyrrolidin-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 43034055) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID43034055
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC2CCN(Cc3ccccc3)C2)nc(C)c1C
InChIInChI=1S/C20H26N4OS/c1-14-15(2)21-20(22-16(14)3)26-13-19(25)23-18-9-10-24(12-18)11-17-7-5-4-6-8-17/h4-8,18H,9-13H2,1-3H3,(H,23,25)
InChIKeyRYVUUYNQORGEMM-UHFFFAOYSA-N
XLogP2.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzylpyrrolidin-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3-p-tolyl-3,5-dihydro-imidazol-4-one
CID 915125
4-[2-(4,5,6-Trimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 2161841
N-benzyl-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]propanamide
CID 4117175
2-(2,6-Difluorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)thiazolidin-4-one
CID 16728917
6-amino-9-benzyl-2-ethylsulfanyl-7H-purin-8-one
CID 9796392
6-amino-9-benzyl-2-butylsulfanyl-7H-purin-8-one
CID 9797553
8H-Purin-8-one, 6-amino-7,9-dihydro-9-(phenylmethyl)-2-(propylthio)-
CID 9839887
1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-1-heptyl-3-isopropyl-urea
CID 11756450
1-(2-Diethylamino-ethyl)-1-[5-(4,5-diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-3-isopropyl-urea
CID 11756483
4-Amino-2-butylsulfanyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
CID 46241671
2-{[5,7-dimethyl-6-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio}-N-(2-piperazin-1-ylethyl)acetamide
CID 49800087
N-(2-Morpholin-4-yl-ethyl)-2-(4-phenyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-propionamide
CID 648112

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 43034055) is N-(1-benzylpyrrolidin-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is Cc1nc(SCC(=O)NC2CCN(Cc3ccccc3)C2)nc(C)c1C.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is RYVUUYNQORGEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-14-15(2)21-20(22-16(14)3)26-13-19(25)23-18-9-10-24(12-18)11-17-7-5-4-6-8-17/h4-8,18H,9-13H2,1-3H3,(H,23,25).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-(1-benzylpyrrolidin-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 370.52 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 43034055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).