(2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C12H18N4O3S — CID 74233443

IUPAC(2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCCc1ncc(C(=O)N2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C12H18N4O3S/c1-3-11-13-8-10(9-14-11)12(17)15-4-6-16(7-5-15)20(2,18)19/h8-9H,3-7H2,1-2H3
InChIKeyRYOBAORGGMQSNN-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.24
Rot. Bonds3

About (2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

(2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 74233443) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is (2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID74233443
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name(2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCCc1ncc(C(=O)N2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C12H18N4O3S/c1-3-11-13-8-10(9-14-11)12(17)15-4-6-16(7-5-15)20(2,18)19/h8-9H,3-7H2,1-2H3
InChIKeyRYOBAORGGMQSNN-UHFFFAOYSA-N
XLogP-0.24
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 74233443) is (2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is CCc1ncc(C(=O)N2CCN(S(C)(=O)=O)CC2)cn1.
What is the InChIKey of (2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is RYOBAORGGMQSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-3-11-13-8-10(9-14-11)12(17)15-4-6-16(7-5-15)20(2,18)19/h8-9H,3-7H2,1-2H3.
What are the key properties of (2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 298.37 g/mol, XLogP of -0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 74233443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).