4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydrochloride

C11H19Cl2N5S — CID 3057450

IUPAC4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydrochloride
SMILESCNc1nc(Cl)c(SC)c(N2CCN(C)CC2)n1.Cl
InChIInChI=1S/C11H18ClN5S.ClH/c1-13-11-14-9(12)8(18-3)10(15-11)17-6-4-16(2)5-7-17;/h4-7H2,1-3H3,(H,13,14,15);1H
InChIKeyBOPODZXKWPKKNF-UHFFFAOYSA-N
MW324.28 g/mol
LogP2.07
Rot. Bonds3

About 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydrochloride

4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydrochloride (PubChem CID 3057450) has the molecular formula C11H19Cl2N5S and a molecular weight of 324.28 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydrochloride
PubChem CID3057450
Molecular FormulaC11H19Cl2N5S
Molecular Weight324.28 g/mol
Exact Mass323.07
IUPAC Name4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydrochloride
SMILESCNc1nc(Cl)c(SC)c(N2CCN(C)CC2)n1.Cl
InChIInChI=1S/C11H18ClN5S.ClH/c1-13-11-14-9(12)8(18-3)10(15-11)17-6-4-16(2)5-7-17;/h4-7H2,1-3H3,(H,13,14,15);1H
InChIKeyBOPODZXKWPKKNF-UHFFFAOYSA-N
XLogP2.07
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydrochloride?
The IUPAC name of 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydrochloride (CID 3057450) is 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydrochloride?
The canonical SMILES for 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydrochloride is CNc1nc(Cl)c(SC)c(N2CCN(C)CC2)n1.Cl.
What is the InChIKey of 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydrochloride?
The InChIKey is BOPODZXKWPKKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5S.ClH/c1-13-11-14-9(12)8(18-3)10(15-11)17-6-4-16(2)5-7-17;/h4-7H2,1-3H3,(H,13,14,15);1H.
What are the key properties of 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydrochloride?
4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydrochloride has a molecular weight of 324.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 3057450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).