2-methylsulfonyl-N-phenyl-6-piperazin-1-ylpyrimidin-4-amine

C15H19N5O2S — CID 170533663

IUPAC2-methylsulfonyl-N-phenyl-6-piperazin-1-ylpyrimidin-4-amine
SMILESCS(=O)(=O)c1nc(Nc2ccccc2)cc(N2CCNCC2)n1
InChIInChI=1S/C15H19N5O2S/c1-23(21,22)15-18-13(17-12-5-3-2-4-6-12)11-14(19-15)20-9-7-16-8-10-20/h2-6,11,16H,7-10H2,1H3,(H,17,18,19)
InChIKeyOJWLKDJBLHICBI-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.03
Rot. Bonds4

About 2-methylsulfonyl-N-phenyl-6-piperazin-1-ylpyrimidin-4-amine

2-methylsulfonyl-N-phenyl-6-piperazin-1-ylpyrimidin-4-amine (PubChem CID 170533663) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-methylsulfonyl-N-phenyl-6-piperazin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfonyl-N-phenyl-6-piperazin-1-ylpyrimidin-4-amine
PubChem CID170533663
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name2-methylsulfonyl-N-phenyl-6-piperazin-1-ylpyrimidin-4-amine
SMILESCS(=O)(=O)c1nc(Nc2ccccc2)cc(N2CCNCC2)n1
InChIInChI=1S/C15H19N5O2S/c1-23(21,22)15-18-13(17-12-5-3-2-4-6-12)11-14(19-15)20-9-7-16-8-10-20/h2-6,11,16H,7-10H2,1H3,(H,17,18,19)
InChIKeyOJWLKDJBLHICBI-UHFFFAOYSA-N
XLogP1.03
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-phenyl-6-piperazin-1-ylpyrimidin-4-amine?
The IUPAC name of 2-methylsulfonyl-N-phenyl-6-piperazin-1-ylpyrimidin-4-amine (CID 170533663) is 2-methylsulfonyl-N-phenyl-6-piperazin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfonyl-N-phenyl-6-piperazin-1-ylpyrimidin-4-amine?
The canonical SMILES for 2-methylsulfonyl-N-phenyl-6-piperazin-1-ylpyrimidin-4-amine is CS(=O)(=O)c1nc(Nc2ccccc2)cc(N2CCNCC2)n1.
What is the InChIKey of 2-methylsulfonyl-N-phenyl-6-piperazin-1-ylpyrimidin-4-amine?
The InChIKey is OJWLKDJBLHICBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-23(21,22)15-18-13(17-12-5-3-2-4-6-12)11-14(19-15)20-9-7-16-8-10-20/h2-6,11,16H,7-10H2,1H3,(H,17,18,19).
What are the key properties of 2-methylsulfonyl-N-phenyl-6-piperazin-1-ylpyrimidin-4-amine?
2-methylsulfonyl-N-phenyl-6-piperazin-1-ylpyrimidin-4-amine has a molecular weight of 333.42 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-phenyl-6-piperazin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 170533663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).