2,6-dimethyl-3-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)pyrimidin-4-one

C12H15N5O2S — CID 72948762

IUPAC2,6-dimethyl-3-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)pyrimidin-4-one
SMILESCc1cc(=O)n(-c2nnc(N3CCOCC3)s2)c(C)n1
InChIInChI=1S/C12H15N5O2S/c1-8-7-10(18)17(9(2)13-8)12-15-14-11(20-12)16-3-5-19-6-4-16/h7H,3-6H2,1-2H3
InChIKeyAYDARBANAVIXSW-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.54
Rot. Bonds2

About 2,6-dimethyl-3-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)pyrimidin-4-one

2,6-dimethyl-3-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)pyrimidin-4-one (PubChem CID 72948762) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2,6-dimethyl-3-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)pyrimidin-4-one
PubChem CID72948762
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name2,6-dimethyl-3-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)pyrimidin-4-one
SMILESCc1cc(=O)n(-c2nnc(N3CCOCC3)s2)c(C)n1
InChIInChI=1S/C12H15N5O2S/c1-8-7-10(18)17(9(2)13-8)12-15-14-11(20-12)16-3-5-19-6-4-16/h7H,3-6H2,1-2H3
InChIKeyAYDARBANAVIXSW-UHFFFAOYSA-N
XLogP0.54
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,6-dimethyl-3-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)pyrimidin-4-one (CID 72948762) is 2,6-dimethyl-3-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)pyrimidin-4-one is Cc1cc(=O)n(-c2nnc(N3CCOCC3)s2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)pyrimidin-4-one?
The InChIKey is AYDARBANAVIXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-8-7-10(18)17(9(2)13-8)12-15-14-11(20-12)16-3-5-19-6-4-16/h7H,3-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)pyrimidin-4-one?
2,6-dimethyl-3-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)pyrimidin-4-one has a molecular weight of 293.35 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)pyrimidin-4-one is sourced from PubChem (CID 72948762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).