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

C10H14ClN3OS — CID 54204875

IUPAC4-(6-chloro-2-ethylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
SMILESCCc1nc(Cl)cc(N2CCS(=O)CC2)n1
InChIInChI=1S/C10H14ClN3OS/c1-2-9-12-8(11)7-10(13-9)14-3-5-16(15)6-4-14/h7H,2-6H2,1H3
InChIKeyPRUUPNKGLQAOJE-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.26
Rot. Bonds2

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

4-(6-chloro-2-ethylpyrimidin-4-yl)-1,4-thiazinane 1-oxide (PubChem CID 54204875) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 4-(6-chloro-2-ethylpyrimidin-4-yl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(6-chloro-2-ethylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
PubChem CID54204875
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name4-(6-chloro-2-ethylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
SMILESCCc1nc(Cl)cc(N2CCS(=O)CC2)n1
InChIInChI=1S/C10H14ClN3OS/c1-2-9-12-8(11)7-10(13-9)14-3-5-16(15)6-4-14/h7H,2-6H2,1H3
InChIKeyPRUUPNKGLQAOJE-UHFFFAOYSA-N
XLogP1.26
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-ethylpyrimidin-4-yl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(6-chloro-2-ethylpyrimidin-4-yl)-1,4-thiazinane 1-oxide (CID 54204875) is 4-(6-chloro-2-ethylpyrimidin-4-yl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(6-chloro-2-ethylpyrimidin-4-yl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(6-chloro-2-ethylpyrimidin-4-yl)-1,4-thiazinane 1-oxide is CCc1nc(Cl)cc(N2CCS(=O)CC2)n1.
What is the InChIKey of 4-(6-chloro-2-ethylpyrimidin-4-yl)-1,4-thiazinane 1-oxide?
The InChIKey is PRUUPNKGLQAOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-2-9-12-8(11)7-10(13-9)14-3-5-16(15)6-4-14/h7H,2-6H2,1H3.
What are the key properties of 4-(6-chloro-2-ethylpyrimidin-4-yl)-1,4-thiazinane 1-oxide?
4-(6-chloro-2-ethylpyrimidin-4-yl)-1,4-thiazinane 1-oxide has a molecular weight of 259.76 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-ethylpyrimidin-4-yl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 54204875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).