1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one

C14H21N5OS — CID 133464428

IUPAC1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one
SMILESCC1CN(c2cc(N3CCN(C)C(=O)C3)ncn2)CCS1
InChIInChI=1S/C14H21N5OS/c1-11-8-19(5-6-21-11)13-7-12(15-10-16-13)18-4-3-17(2)14(20)9-18/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyZMXPUIONWXKKNW-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.70
Rot. Bonds2

About 1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one

1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one (PubChem CID 133464428) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one
PubChem CID133464428
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one
SMILESCC1CN(c2cc(N3CCN(C)C(=O)C3)ncn2)CCS1
InChIInChI=1S/C14H21N5OS/c1-11-8-19(5-6-21-11)13-7-12(15-10-16-13)18-4-3-17(2)14(20)9-18/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyZMXPUIONWXKKNW-UHFFFAOYSA-N
XLogP0.70
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one (CID 133464428) is 1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one is CC1CN(c2cc(N3CCN(C)C(=O)C3)ncn2)CCS1.
What is the InChIKey of 1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one?
The InChIKey is ZMXPUIONWXKKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-11-8-19(5-6-21-11)13-7-12(15-10-16-13)18-4-3-17(2)14(20)9-18/h7,10-11H,3-6,8-9H2,1-2H3.
What are the key properties of 1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one?
1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one has a molecular weight of 307.42 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 133464428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).