4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfinylpyrimidin-2-amine

C11H18ClN5OS — CID 15567750

IUPAC4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfinylpyrimidin-2-amine
SMILESCNc1nc(Cl)c(S(C)=O)c(N2CCN(C)CC2)n1
InChIInChI=1S/C11H18ClN5OS/c1-13-11-14-9(12)8(19(3)18)10(15-11)17-6-4-16(2)5-7-17/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyAJFSZJLEGZLTMU-UHFFFAOYSA-N
MW303.82 g/mol
LogP0.66
Rot. Bonds3

About 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfinylpyrimidin-2-amine

4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfinylpyrimidin-2-amine (PubChem CID 15567750) has the molecular formula C11H18ClN5OS and a molecular weight of 303.82 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfinylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfinylpyrimidin-2-amine
PubChem CID15567750
Molecular FormulaC11H18ClN5OS
Molecular Weight303.82 g/mol
Exact Mass303.09
IUPAC Name4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfinylpyrimidin-2-amine
SMILESCNc1nc(Cl)c(S(C)=O)c(N2CCN(C)CC2)n1
InChIInChI=1S/C11H18ClN5OS/c1-13-11-14-9(12)8(19(3)18)10(15-11)17-6-4-16(2)5-7-17/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyAJFSZJLEGZLTMU-UHFFFAOYSA-N
XLogP0.66
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 50.66
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-methylsulfinylpyrimidin-2-amine?
The IUPAC name of 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfinylpyrimidin-2-amine (CID 15567750) is 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfinylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfinylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfinylpyrimidin-2-amine is CNc1nc(Cl)c(S(C)=O)c(N2CCN(C)CC2)n1.
What is the InChIKey of 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfinylpyrimidin-2-amine?
The InChIKey is AJFSZJLEGZLTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5OS/c1-13-11-14-9(12)8(19(3)18)10(15-11)17-6-4-16(2)5-7-17/h4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfinylpyrimidin-2-amine?
4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfinylpyrimidin-2-amine has a molecular weight of 303.82 g/mol, XLogP of 0.66, 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-methylsulfinylpyrimidin-2-amine is sourced from PubChem (CID 15567750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).