5-chloro-2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidine

C10H15ClN4O2S — CID 84596788

IUPAC5-chloro-2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidine
SMILESC[C@H]1CN(c2ncc(Cl)cn2)CCN1S(C)(=O)=O
InChIInChI=1S/C10H15ClN4O2S/c1-8-7-14(3-4-15(8)18(2,16)17)10-12-5-9(11)6-13-10/h5-6,8H,3-4,7H2,1-2H3/t8-/m0/s1
InChIKeyDAXOIUFBHALICA-QMMMGPOBSA-N
MW290.78 g/mol
LogP0.60
Rot. Bonds2

About 5-chloro-2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidine

5-chloro-2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidine (PubChem CID 84596788) has the molecular formula C10H15ClN4O2S and a molecular weight of 290.78 g/mol. Its IUPAC name is 5-chloro-2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidine
PubChem CID84596788
Molecular FormulaC10H15ClN4O2S
Molecular Weight290.78 g/mol
Exact Mass290.06
IUPAC Name5-chloro-2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidine
SMILESC[C@H]1CN(c2ncc(Cl)cn2)CCN1S(C)(=O)=O
InChIInChI=1S/C10H15ClN4O2S/c1-8-7-14(3-4-15(8)18(2,16)17)10-12-5-9(11)6-13-10/h5-6,8H,3-4,7H2,1-2H3/t8-/m0/s1
InChIKeyDAXOIUFBHALICA-QMMMGPOBSA-N
XLogP0.60
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 5-chloro-2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidine (CID 84596788) is 5-chloro-2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidine is C[C@H]1CN(c2ncc(Cl)cn2)CCN1S(C)(=O)=O.
What is the InChIKey of 5-chloro-2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is DAXOIUFBHALICA-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15ClN4O2S/c1-8-7-14(3-4-15(8)18(2,16)17)10-12-5-9(11)6-13-10/h5-6,8H,3-4,7H2,1-2H3/t8-/m0/s1.
What are the key properties of 5-chloro-2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidine?
5-chloro-2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 290.78 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 84596788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).