N,N,2-trimethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine

C12H21N5O2S — CID 50748436

IUPACN,N,2-trimethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1nc(N(C)C)cc(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C12H21N5O2S/c1-10-13-11(15(2)3)9-12(14-10)16-5-7-17(8-6-16)20(4,18)19/h9H,5-8H2,1-4H3
InChIKeyUBEIPSICWXUSML-UHFFFAOYSA-N
MW299.40 g/mol
LogP-0.07
Rot. Bonds3

About N,N,2-trimethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine

N,N,2-trimethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 50748436) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is N,N,2-trimethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID50748436
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC NameN,N,2-trimethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1nc(N(C)C)cc(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C12H21N5O2S/c1-10-13-11(15(2)3)9-12(14-10)16-5-7-17(8-6-16)20(4,18)19/h9H,5-8H2,1-4H3
InChIKeyUBEIPSICWXUSML-UHFFFAOYSA-N
XLogP-0.07
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N,N,2-trimethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine (CID 50748436) is N,N,2-trimethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N,N,2-trimethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N,N,2-trimethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine is Cc1nc(N(C)C)cc(N2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of N,N,2-trimethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is UBEIPSICWXUSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-10-13-11(15(2)3)9-12(14-10)16-5-7-17(8-6-16)20(4,18)19/h9H,5-8H2,1-4H3.
What are the key properties of N,N,2-trimethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine?
N,N,2-trimethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 299.40 g/mol, XLogP of -0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 50748436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).