4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one

C14H19N3OS — CID 62563461

IUPAC4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCNCCc2cccs2)c(=O)n1
InChIInChI=1S/C14H19N3OS/c1-11-10-12(2)17(14(18)16-11)8-7-15-6-5-13-4-3-9-19-13/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyPZUFUZKEXJYTPE-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.75
Rot. Bonds6

About 4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one

4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one (PubChem CID 62563461) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one
PubChem CID62563461
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCNCCc2cccs2)c(=O)n1
InChIInChI=1S/C14H19N3OS/c1-11-10-12(2)17(14(18)16-11)8-7-15-6-5-13-4-3-9-19-13/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyPZUFUZKEXJYTPE-UHFFFAOYSA-N
XLogP1.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one 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-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 62563025
2-methyl-5-[2-(2-thiophen-2-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735481
1-[2-(tert-butylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 61386997
methyl 4-methyl-6-(2-thiophen-2-ylethylamino)pyrimidine-2-carboxylate
CID 66287228
N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine
CID 60695335
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 63775483
N"-(4,6-dimethylpyrimidin-2-yl)-N'-(2-thiophen-2-ylethyl)methanetriamine
CID 21149282
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylethanamine
CID 63775489
N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 63217965
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 115576261
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one (CID 62563461) is 4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one is Cc1cc(C)n(CCNCCc2cccs2)c(=O)n1.
What is the InChIKey of 4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one?
The InChIKey is PZUFUZKEXJYTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-11-10-12(2)17(14(18)16-11)8-7-15-6-5-13-4-3-9-19-13/h3-4,9-10,15H,5-8H2,1-2H3.
What are the key properties of 4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one?
4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one has a molecular weight of 277.39 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one is sourced from PubChem (CID 62563461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).