2-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

C19H26N4O2S — CID 137266312

IUPAC2-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCCC1(CC)CN(c2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)CCS1=O
InChIInChI=1S/C19H26N4O2S/c1-5-19(6-2)12-23(9-10-26(19)25)16-8-7-15(11-20-16)17-21-14(4)13(3)18(24)22-17/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,21,22,24)
InChIKeySOTKSIUTKUBJSN-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.58
Rot. Bonds4

About 2-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 137266312) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID137266312
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCCC1(CC)CN(c2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)CCS1=O
InChIInChI=1S/C19H26N4O2S/c1-5-19(6-2)12-23(9-10-26(19)25)16-8-7-15(11-20-16)17-21-14(4)13(3)18(24)22-17/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,21,22,24)
InChIKeySOTKSIUTKUBJSN-UHFFFAOYSA-N
XLogP2.58
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-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-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 137266312) is 2-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is CCC1(CC)CN(c2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)CCS1=O.
What is the InChIKey of 2-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is SOTKSIUTKUBJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-5-19(6-2)12-23(9-10-26(19)25)16-8-7-15(11-20-16)17-21-14(4)13(3)18(24)22-17/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,21,22,24).
What are the key properties of 2-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 374.51 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137266312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).