N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide

C12H18N4OS — CID 66422864

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1nccc(CNC(=O)CC2CSCCN2)n1
InChIInChI=1S/C12H18N4OS/c1-9-13-3-2-10(16-9)7-15-12(17)6-11-8-18-5-4-14-11/h2-3,11,14H,4-8H2,1H3,(H,15,17)
InChIKeyNZZYJEFUXYMGPL-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.50
Rot. Bonds4

About N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide

N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66422864) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66422864
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1nccc(CNC(=O)CC2CSCCN2)n1
InChIInChI=1S/C12H18N4OS/c1-9-13-3-2-10(16-9)7-15-12(17)6-11-8-18-5-4-14-11/h2-3,11,14H,4-8H2,1H3,(H,15,17)
InChIKeyNZZYJEFUXYMGPL-UHFFFAOYSA-N
XLogP0.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide 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

N-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide
CID 82908468
N-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide
CID 114110925
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 114700218
N-[(2-methylpyrimidin-4-yl)methyl]-2-piperidin-4-ylacetamide
CID 54910978
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421681
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942098
N-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide
CID 106417266
N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936154
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119941150
N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 103821107
N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 146134018

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide (CID 66422864) is N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide is Cc1nccc(CNC(=O)CC2CSCCN2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is NZZYJEFUXYMGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-9-13-3-2-10(16-9)7-15-12(17)6-11-8-18-5-4-14-11/h2-3,11,14H,4-8H2,1H3,(H,15,17).
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide?
N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 266.37 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).