4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide

C15H24ClN3OS — CID 133479594

IUPAC4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
SMILESCCc1c(Cl)nc(C)nc1N1CCS(=O)C(CC)(CC)C1
InChIInChI=1S/C15H24ClN3OS/c1-5-12-13(16)17-11(4)18-14(12)19-8-9-21(20)15(6-2,7-3)10-19/h5-10H2,1-4H3
InChIKeyOHGCDHGKPNIITC-UHFFFAOYSA-N
MW329.90 g/mol
LogP3.13
Rot. Bonds4

About 4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide

4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide (PubChem CID 133479594) has the molecular formula C15H24ClN3OS and a molecular weight of 329.90 g/mol. Its IUPAC name is 4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
PubChem CID133479594
Molecular FormulaC15H24ClN3OS
Molecular Weight329.90 g/mol
Exact Mass329.13
IUPAC Name4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
SMILESCCc1c(Cl)nc(C)nc1N1CCS(=O)C(CC)(CC)C1
InChIInChI=1S/C15H24ClN3OS/c1-5-12-13(16)17-11(4)18-14(12)19-8-9-21(20)15(6-2,7-3)10-19/h5-10H2,1-4H3
InChIKeyOHGCDHGKPNIITC-UHFFFAOYSA-N
XLogP3.13
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.90
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide (CID 133479594) is 4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide is CCc1c(Cl)nc(C)nc1N1CCS(=O)C(CC)(CC)C1.
What is the InChIKey of 4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide?
The InChIKey is OHGCDHGKPNIITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3OS/c1-5-12-13(16)17-11(4)18-14(12)19-8-9-21(20)15(6-2,7-3)10-19/h5-10H2,1-4H3.
What are the key properties of 4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide?
4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide has a molecular weight of 329.90 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 133479594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).