3-methyl-2-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one

C15H20N6O3S — CID 25005272

IUPAC3-methyl-2-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
SMILESC[C@@H]1CN(S(C)(=O)=O)CCN1c1nc(-c2ccncn2)cc(=O)n1C
InChIInChI=1S/C15H20N6O3S/c1-11-9-20(25(3,23)24)6-7-21(11)15-18-13(8-14(22)19(15)2)12-4-5-16-10-17-12/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m1/s1
InChIKeyFJNXKPTTYRZBOD-LLVKDONJSA-N
MW364.43 g/mol
LogP-0.29
Rot. Bonds3

About 3-methyl-2-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one

3-methyl-2-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one (PubChem CID 25005272) has the molecular formula C15H20N6O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-methyl-2-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
PubChem CID25005272
Molecular FormulaC15H20N6O3S
Molecular Weight364.43 g/mol
Exact Mass364.13
IUPAC Name3-methyl-2-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
SMILESC[C@@H]1CN(S(C)(=O)=O)CCN1c1nc(-c2ccncn2)cc(=O)n1C
InChIInChI=1S/C15H20N6O3S/c1-11-9-20(25(3,23)24)6-7-21(11)15-18-13(8-14(22)19(15)2)12-4-5-16-10-17-12/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m1/s1
InChIKeyFJNXKPTTYRZBOD-LLVKDONJSA-N
XLogP-0.29
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one?
The IUPAC name of 3-methyl-2-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one (CID 25005272) is 3-methyl-2-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one is C[C@@H]1CN(S(C)(=O)=O)CCN1c1nc(-c2ccncn2)cc(=O)n1C.
What is the InChIKey of 3-methyl-2-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one?
The InChIKey is FJNXKPTTYRZBOD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N6O3S/c1-11-9-20(25(3,23)24)6-7-21(11)15-18-13(8-14(22)19(15)2)12-4-5-16-10-17-12/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m1/s1.
What are the key properties of 3-methyl-2-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one?
3-methyl-2-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one has a molecular weight of 364.43 g/mol, XLogP of -0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one is sourced from PubChem (CID 25005272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).