1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one

C16H20N6O2S — CID 133464320

IUPAC1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one
SMILESCN1CCN(c2cc(N3CCOC(c4nccs4)C3)ncn2)CC1=O
InChIInChI=1S/C16H20N6O2S/c1-20-3-4-21(10-15(20)23)13-8-14(19-11-18-13)22-5-6-24-12(9-22)16-17-2-7-25-16/h2,7-8,11-12H,3-6,9-10H2,1H3
InChIKeyOUOGEFWCNIXUAV-UHFFFAOYSA-N
MW360.44 g/mol
LogP0.79
Rot. Bonds3

About 1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one

1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one (PubChem CID 133464320) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one
PubChem CID133464320
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one
SMILESCN1CCN(c2cc(N3CCOC(c4nccs4)C3)ncn2)CC1=O
InChIInChI=1S/C16H20N6O2S/c1-20-3-4-21(10-15(20)23)13-8-14(19-11-18-13)22-5-6-24-12(9-22)16-17-2-7-25-16/h2,7-8,11-12H,3-6,9-10H2,1H3
InChIKeyOUOGEFWCNIXUAV-UHFFFAOYSA-N
XLogP0.79
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one (CID 133464320) is 1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one is CN1CCN(c2cc(N3CCOC(c4nccs4)C3)ncn2)CC1=O.
What is the InChIKey of 1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one?
The InChIKey is OUOGEFWCNIXUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-20-3-4-21(10-15(20)23)13-8-14(19-11-18-13)22-5-6-24-12(9-22)16-17-2-7-25-16/h2,7-8,11-12H,3-6,9-10H2,1H3.
What are the key properties of 1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one?
1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one has a molecular weight of 360.44 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 133464320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).