2-[6-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone

C19H30N6O2S2 — CID 4749886

IUPAC2-[6-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1cc(SCC(=O)N2CCN(C)CC2)nc(SCC(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C19H30N6O2S2/c1-15-12-16(28-13-17(26)24-8-4-22(2)5-9-24)21-19(20-15)29-14-18(27)25-10-6-23(3)7-11-25/h12H,4-11,13-14H2,1-3H3
InChIKeyNEALDHRJMVCKSG-UHFFFAOYSA-N
MW438.62 g/mol
LogP0.52
Rot. Bonds6

About 2-[6-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone

2-[6-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 4749886) has the molecular formula C19H30N6O2S2 and a molecular weight of 438.62 g/mol. Its IUPAC name is 2-[6-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[6-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID4749886
Molecular FormulaC19H30N6O2S2
Molecular Weight438.62 g/mol
Exact Mass438.19
IUPAC Name2-[6-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1cc(SCC(=O)N2CCN(C)CC2)nc(SCC(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C19H30N6O2S2/c1-15-12-16(28-13-17(26)24-8-4-22(2)5-9-24)21-19(20-15)29-14-18(27)25-10-6-23(3)7-11-25/h12H,4-11,13-14H2,1-3H3
InChIKeyNEALDHRJMVCKSG-UHFFFAOYSA-N
XLogP0.52
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[6-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone 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-[(2,6-Dimethylpyrimidin-4-yl)sulfanyl]-1-(piperidin-1-yl)ethanone
CID 664892
N-methyl-N-(6-methyl-4-methylthiopyrimidin-2-yl)acetamide
CID 658170
Morpholine, 4,4'-(1,3-propanediylbis(thio(6-methyl-2,4-pyrimidinediyl)))bis-
CID 3078958
Morpholine, 4,4'-(1,4-butanediylbis(thio(6-methyl-2,4-pyrimidinediyl)))bis-
CID 3078955
1-(2,6-Dimethylmorpholin-4-yl)-2-[(6-methylpyrimidin-4-yl)sulfanyl]ethanone
CID 24324048
2-(4-Methyl-6-morpholin-4-ylpyrimidin-2-ylthio)-1-morpholin-4-ylethan-1-one
CID 4098476
2-[6-Methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 4120703
2-[(2,6-Dimethylpyrimidin-4-YL)sulfanyl]-1-(morpholin-4-YL)ethan-1-one
CID 23611314
6-Acetylaminomethyl-2,4-bis(methylthio)pyrimidine
CID 13339914
Tert-butyl 4-(4-methyl-6-(methylthio)pyrimidin-2-yl)piperazine-1-carboxylate
CID 122528773
4-Methyl-2-(4-methylpiperazin-1-yl)-6-methylsulfanylpyrimidine
CID 137531762
N-[1-[2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-1-ium-2-yl]acetamide
CID 172695898

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[6-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone (CID 4749886) is 2-[6-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[6-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[6-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone is Cc1cc(SCC(=O)N2CCN(C)CC2)nc(SCC(=O)N2CCN(C)CC2)n1.
What is the InChIKey of 2-[6-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is NEALDHRJMVCKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2S2/c1-15-12-16(28-13-17(26)24-8-4-22(2)5-9-24)21-19(20-15)29-14-18(27)25-10-6-23(3)7-11-25/h12H,4-11,13-14H2,1-3H3.
What are the key properties of 2-[6-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone?
2-[6-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 438.62 g/mol, XLogP of 0.52, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 4749886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).