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

C13H20ClN5O3S — CID 137498389

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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Related Compounds

6-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-2-one
CID 137498305
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
CID 146533977
2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide
CID 166756249
1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine
CID 139406092
4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine
CID 88545272
[1-[2-chloro-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopentyl]methanesulfinic acid
CID 174603748
(3R)-4-[2-chloro-6-(isocyanomethyl)pyrimidin-4-yl]-3-methylmorpholine
CID 169304968
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
CID 167996467
CID 167996467
4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 139406180
(3S)-4-[6-(tert-butylsulfinylmethyl)-2-chloropyrimidin-4-yl]-3-methylmorpholine
CID 88855465

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).