1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one

C14H21N5OS — CID 133464428

IUPAC1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one
SMILESCC1CN(c2cc(N3CCN(C)C(=O)C3)ncn2)CCS1
InChIInChI=1S/C14H21N5OS/c1-11-8-19(5-6-21-11)13-7-12(15-10-16-13)18-4-3-17(2)14(20)9-18/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyZMXPUIONWXKKNW-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.70
Rot. Bonds2

About 1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one

1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one (PubChem CID 133464428) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one
PubChem CID133464428
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one
SMILESCC1CN(c2cc(N3CCN(C)C(=O)C3)ncn2)CCS1
InChIInChI=1S/C14H21N5OS/c1-11-8-19(5-6-21-11)13-7-12(15-10-16-13)18-4-3-17(2)14(20)9-18/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyZMXPUIONWXKKNW-UHFFFAOYSA-N
XLogP0.70
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-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

4-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464424
1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 122051078
4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80843839
4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464582
1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one
CID 133464320
2-[1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidin-3-yl]acetamide
CID 133490381
1-methyl-4-[6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-2-one
CID 133492404
4-[6-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 138033398
4-[6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464269
4-[6-(3-indazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 166223108
4-[6-(2,6-dimethylthiomorpholin-4-yl)pyrimidin-4-yl]-2,6-dimethylthiomorpholine
CID 133484522
1-methyl-4-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]piperazin-2-one
CID 133464234

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one (CID 133464428) is 1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one is CC1CN(c2cc(N3CCN(C)C(=O)C3)ncn2)CCS1.
What is the InChIKey of 1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one?
The InChIKey is ZMXPUIONWXKKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-11-8-19(5-6-21-11)13-7-12(15-10-16-13)18-4-3-17(2)14(20)9-18/h7,10-11H,3-6,8-9H2,1-2H3.
What are the key properties of 1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one?
1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one has a molecular weight of 307.42 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 133464428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).