4-(2-chloro-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide

C9H12ClN3OS — CID 62482400

IUPAC4-(2-chloro-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
SMILESCc1cc(N2CCS(=O)CC2)nc(Cl)n1
InChIInChI=1S/C9H12ClN3OS/c1-7-6-8(12-9(10)11-7)13-2-4-15(14)5-3-13/h6H,2-5H2,1H3
InChIKeyDEOLTSMRGSVQPA-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.01
Rot. Bonds1

About 4-(2-chloro-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide

4-(2-chloro-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide (PubChem CID 62482400) has the molecular formula C9H12ClN3OS and a molecular weight of 245.73 g/mol. Its IUPAC name is 4-(2-chloro-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(2-chloro-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
PubChem CID62482400
Molecular FormulaC9H12ClN3OS
Molecular Weight245.73 g/mol
Exact Mass245.04
IUPAC Name4-(2-chloro-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
SMILESCc1cc(N2CCS(=O)CC2)nc(Cl)n1
InChIInChI=1S/C9H12ClN3OS/c1-7-6-8(12-9(10)11-7)13-2-4-15(14)5-3-13/h6H,2-5H2,1H3
InChIKeyDEOLTSMRGSVQPA-UHFFFAOYSA-N
XLogP1.01
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-butan-2-yl-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 138047547
ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
CID 107877548
2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 62477783
N,2-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 80805027
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 62483420
1-(2-chloro-6-methylpyrimidin-4-yl)piperidin-3-amine;hydrochloride
CID 71638277
3-(2-chloro-6-methylpyrimidin-4-yl)-1,3-oxazolidin-2-one
CID 130285167
[(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 97162738
[1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 71634268
[6-methyl-2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]methanamine
CID 107541777
2-chloro-4,6-dimethylpyrimidine
CID 20550
(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 95928534

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(2-chloro-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide (CID 62482400) is 4-(2-chloro-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(2-chloro-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(2-chloro-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide is Cc1cc(N2CCS(=O)CC2)nc(Cl)n1.
What is the InChIKey of 4-(2-chloro-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide?
The InChIKey is DEOLTSMRGSVQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3OS/c1-7-6-8(12-9(10)11-7)13-2-4-15(14)5-3-13/h6H,2-5H2,1H3.
What are the key properties of 4-(2-chloro-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide?
4-(2-chloro-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide has a molecular weight of 245.73 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 62482400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).