4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide

C10H12ClN5O2S — CID 102885486

IUPAC4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1c1nc(Cl)nc2[nH]ncc12
InChIInChI=1S/C10H12ClN5O2S/c1-6-5-19(17,18)3-2-16(6)9-7-4-12-15-8(7)13-10(11)14-9/h4,6H,2-3,5H2,1H3,(H,12,13,14,15)
InChIKeyTXCDGOCRFRBVNC-UHFFFAOYSA-N
MW301.76 g/mol
LogP0.63
Rot. Bonds1

About 4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide

4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 102885486) has the molecular formula C10H12ClN5O2S and a molecular weight of 301.76 g/mol. Its IUPAC name is 4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID102885486
Molecular FormulaC10H12ClN5O2S
Molecular Weight301.76 g/mol
Exact Mass301.04
IUPAC Name4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1c1nc(Cl)nc2[nH]ncc12
InChIInChI=1S/C10H12ClN5O2S/c1-6-5-19(17,18)3-2-16(6)9-7-4-12-15-8(7)13-10(11)14-9/h4,6H,2-3,5H2,1H3,(H,12,13,14,15)
InChIKeyTXCDGOCRFRBVNC-UHFFFAOYSA-N
XLogP0.63
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide with MolForge

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Related Compounds

3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
CID 102885437
6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 83056224
4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885503
4-(5-bromo-3-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 103583476
6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid
CID 102883883
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885453
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinazolin-2-amine
CID 102887639
N-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 113402563
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one
CID 102888057
[1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol
CID 102885836
3,5-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridin-2-amine
CID 114074771
N-ethyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-7H-purin-2-amine
CID 102887635

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide (CID 102885486) is 4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CCN1c1nc(Cl)nc2[nH]ncc12.
What is the InChIKey of 4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is TXCDGOCRFRBVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O2S/c1-6-5-19(17,18)3-2-16(6)9-7-4-12-15-8(7)13-10(11)14-9/h4,6H,2-3,5H2,1H3,(H,12,13,14,15).
What are the key properties of 4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide?
4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 301.76 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 102885486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).