6-chloro-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine

C10H16ClN5S — CID 13151103

IUPAC6-chloro-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine
SMILESCSc1c(N)nc(N2CCN(C)CC2)nc1Cl
InChIInChI=1S/C10H16ClN5S/c1-15-3-5-16(6-4-15)10-13-8(11)7(17-2)9(12)14-10/h3-6H2,1-2H3,(H2,12,13,14)
InChIKeyAQNXEGXXMPANLU-UHFFFAOYSA-N
MW273.79 g/mol
LogP1.19
Rot. Bonds2

About 6-chloro-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine

6-chloro-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine (PubChem CID 13151103) has the molecular formula C10H16ClN5S and a molecular weight of 273.79 g/mol. Its IUPAC name is 6-chloro-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine
PubChem CID13151103
Molecular FormulaC10H16ClN5S
Molecular Weight273.79 g/mol
Exact Mass273.08
IUPAC Name6-chloro-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine
SMILESCSc1c(N)nc(N2CCN(C)CC2)nc1Cl
InChIInChI=1S/C10H16ClN5S/c1-15-3-5-16(6-4-15)10-13-8(11)7(17-2)9(12)14-10/h3-6H2,1-2H3,(H2,12,13,14)
InChIKeyAQNXEGXXMPANLU-UHFFFAOYSA-N
XLogP1.19
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
6-chloro-5-methylsulfanyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine
CID 13151100
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-(4-methylpiperazino)-5-methylthio-2-morpholino-
CID 91941
Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio
CID 108722

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine (CID 13151103) is 6-chloro-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine is CSc1c(N)nc(N2CCN(C)CC2)nc1Cl.
What is the InChIKey of 6-chloro-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine?
The InChIKey is AQNXEGXXMPANLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5S/c1-15-3-5-16(6-4-15)10-13-8(11)7(17-2)9(12)14-10/h3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 6-chloro-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine?
6-chloro-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine has a molecular weight of 273.79 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 13151103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).