6-chloro-5-methylsulfanyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine

C12H20ClN5S — CID 13151100

IUPAC6-chloro-5-methylsulfanyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine
SMILESCSc1c(Cl)nc(N2CCNCC2)nc1NC(C)C
InChIInChI=1S/C12H20ClN5S/c1-8(2)15-11-9(19-3)10(13)16-12(17-11)18-6-4-14-5-7-18/h8,14H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyDQVPSULWVNBIMG-UHFFFAOYSA-N
MW301.85 g/mol
LogP2.08
Rot. Bonds4

About 6-chloro-5-methylsulfanyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine

6-chloro-5-methylsulfanyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 13151100) has the molecular formula C12H20ClN5S and a molecular weight of 301.85 g/mol. Its IUPAC name is 6-chloro-5-methylsulfanyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methylsulfanyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine
PubChem CID13151100
Molecular FormulaC12H20ClN5S
Molecular Weight301.85 g/mol
Exact Mass301.11
IUPAC Name6-chloro-5-methylsulfanyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine
SMILESCSc1c(Cl)nc(N2CCNCC2)nc1NC(C)C
InChIInChI=1S/C12H20ClN5S/c1-8(2)15-11-9(19-3)10(13)16-12(17-11)18-6-4-14-5-7-18/h8,14H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyDQVPSULWVNBIMG-UHFFFAOYSA-N
XLogP2.08
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.85
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-5-methylsulfanyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine 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-Chloro-N-methyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinamine
CID 68678
Iprozilamine
CID 68725
4-Chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinamine
CID 91939
Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio-
CID 108720
2-Pyrimidinamine, 4-chloro-N-hexyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-
CID 3042442
2-Pyrimidinamine, 4-chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-N-propyl-
CID 3042446
2-Pyrimidinamine, N-butyl-4-chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-
CID 3042447
RP 55462
CID 128094
6-chloro-2-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine
CID 13151104
Pyrimidine, 4-chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio-
CID 108721
Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio
CID 108722
N-[4-chloro-6-(cyclohexylamino)-5-(methylsulfanyl)-2-pyrimidinyl]-N-methylamine
CID 1475487

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methylsulfanyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methylsulfanyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine (CID 13151100) is 6-chloro-5-methylsulfanyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methylsulfanyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methylsulfanyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine is CSc1c(Cl)nc(N2CCNCC2)nc1NC(C)C.
What is the InChIKey of 6-chloro-5-methylsulfanyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is DQVPSULWVNBIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5S/c1-8(2)15-11-9(19-3)10(13)16-12(17-11)18-6-4-14-5-7-18/h8,14H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 6-chloro-5-methylsulfanyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine?
6-chloro-5-methylsulfanyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 301.85 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methylsulfanyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 13151100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).