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2-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-6-methyl-1,2,6-thiadiazinane 1,1-dioxide

C13H20ClN5O3S — CID 137498389

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-6-methyl-1,2,6-thiadiazinane 1,1-dioxide
SMILESC[C@@H]1COCCN1c1cc(N2CCCN(C)S2(=O)=O)nc(Cl)n1
InChIInChI=1S/C13H20ClN5O3S/c1-10-9-22-7-6-18(10)11-8-12(16-13(14)15-11)19-5-3-4-17(2)23(19,20)21/h8,10H,3-7,9H2,1-2H3/t10-/m1/s1
InChIKeyBHFFZKHRZHJECY-SNVBAGLBSA-N
MW361.86 g/mol
LogP0.74
Rot. Bonds2

About 2-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-6-methyl-1,2,6-thiadiazinane 1,1-dioxide

2-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-6-methyl-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 137498389) has the molecular formula C13H20ClN5O3S and a molecular weight of 361.86 g/mol. Its IUPAC name is 2-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-6-methyl-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-6-methyl-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID137498389
Molecular FormulaC13H20ClN5O3S
Molecular Weight361.86 g/mol
Exact Mass361.10
IUPAC Name2-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-6-methyl-1,2,6-thiadiazinane 1,1-dioxide
SMILESC[C@@H]1COCCN1c1cc(N2CCCN(C)S2(=O)=O)nc(Cl)n1
InChIInChI=1S/C13H20ClN5O3S/c1-10-9-22-7-6-18(10)11-8-12(16-13(14)15-11)19-5-3-4-17(2)23(19,20)21/h8,10H,3-7,9H2,1-2H3/t10-/m1/s1
InChIKeyBHFFZKHRZHJECY-SNVBAGLBSA-N
XLogP0.74
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.86
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-6-methyl-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-6-methyl-1,2,6-thiadiazinane 1,1-dioxide (CID 137498389) is 2-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-6-methyl-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-6-methyl-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-6-methyl-1,2,6-thiadiazinane 1,1-dioxide is C[C@@H]1COCCN1c1cc(N2CCCN(C)S2(=O)=O)nc(Cl)n1.
What is the InChIKey of 2-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-6-methyl-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is BHFFZKHRZHJECY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20ClN5O3S/c1-10-9-22-7-6-18(10)11-8-12(16-13(14)15-11)19-5-3-4-17(2)23(19,20)21/h8,10H,3-7,9H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-6-methyl-1,2,6-thiadiazinane 1,1-dioxide?
2-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-6-methyl-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 361.86 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-6-methyl-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 137498389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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