4,6-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine

C11H18N4O2S — CID 1455375

IUPAC4,6-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine
SMILESCc1cc(C)nc(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C11H18N4O2S/c1-9-8-10(2)13-11(12-9)14-4-6-15(7-5-14)18(3,16)17/h8H,4-7H2,1-3H3
InChIKeyLHAFRTJYTRFSIT-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.18
Rot. Bonds2

About 4,6-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine

4,6-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 1455375) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 4,6-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID1455375
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name4,6-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine
SMILESCc1cc(C)nc(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C11H18N4O2S/c1-9-8-10(2)13-11(12-9)14-4-6-15(7-5-14)18(3,16)17/h8H,4-7H2,1-3H3
InChIKeyLHAFRTJYTRFSIT-UHFFFAOYSA-N
XLogP0.18
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4,6-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine (CID 1455375) is 4,6-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine is Cc1cc(C)nc(N2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 4,6-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is LHAFRTJYTRFSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-9-8-10(2)13-11(12-9)14-4-6-15(7-5-14)18(3,16)17/h8H,4-7H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
4,6-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 270.36 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 1455375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).