4-(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide

C19H26N4OS — CID 133479598

IUPAC4-(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
SMILESCCC1(CC)CN(c2nc(-c3ccncc3)nc(C)c2C)CCS1=O
InChIInChI=1S/C19H26N4OS/c1-5-19(6-2)13-23(11-12-25(19)24)18-14(3)15(4)21-17(22-18)16-7-9-20-10-8-16/h7-10H,5-6,11-13H2,1-4H3
InChIKeyPZRXQERLGUCTCR-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.28
Rot. Bonds4

About 4-(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide

4-(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide (PubChem CID 133479598) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
PubChem CID133479598
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name4-(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
SMILESCCC1(CC)CN(c2nc(-c3ccncc3)nc(C)c2C)CCS1=O
InChIInChI=1S/C19H26N4OS/c1-5-19(6-2)13-23(11-12-25(19)24)18-14(3)15(4)21-17(22-18)16-7-9-20-10-8-16/h7-10H,5-6,11-13H2,1-4H3
InChIKeyPZRXQERLGUCTCR-UHFFFAOYSA-N
XLogP3.28
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide with MolForge

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Related Compounds

4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine
CID 82169374
4-(4,5-dimethylpyrimidin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
CID 133479608
2-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137266312
4,5-dimethyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133458867
2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 133479437
ethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
CID 133387241
2,2-diethyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1-oxide
CID 133479395
4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133333971
4-(2,4-dinitrophenyl)-2,2-diethyl-1,4-thiazinane 1-oxide
CID 133479761
2,2-diethyl-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 56882232
4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 82169373
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 133310277

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide (CID 133479598) is 4-(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide is CCC1(CC)CN(c2nc(-c3ccncc3)nc(C)c2C)CCS1=O.
What is the InChIKey of 4-(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide?
The InChIKey is PZRXQERLGUCTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-5-19(6-2)13-23(11-12-25(19)24)18-14(3)15(4)21-17(22-18)16-7-9-20-10-8-16/h7-10H,5-6,11-13H2,1-4H3.
What are the key properties of 4-(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide?
4-(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide has a molecular weight of 358.51 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 133479598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).