4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

C10H12ClN5O2S — CID 58345939

IUPAC4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCn1ncc2c(N3CCS(=O)(=O)CC3)nc(Cl)nc21
InChIInChI=1S/C10H12ClN5O2S/c1-15-8-7(6-12-15)9(14-10(11)13-8)16-2-4-19(17,18)5-3-16/h6H,2-5H2,1H3
InChIKeyRQYXAUWMYCVKAD-UHFFFAOYSA-N
MW301.76 g/mol
LogP0.25
Rot. Bonds1

About 4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 58345939) has the molecular formula C10H12ClN5O2S and a molecular weight of 301.76 g/mol. Its IUPAC name is 4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID58345939
Molecular FormulaC10H12ClN5O2S
Molecular Weight301.76 g/mol
Exact Mass301.04
IUPAC Name4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCn1ncc2c(N3CCS(=O)(=O)CC3)nc(Cl)nc21
InChIInChI=1S/C10H12ClN5O2S/c1-15-8-7(6-12-15)9(14-10(11)13-8)16-2-4-19(17,18)5-3-16/h6H,2-5H2,1H3
InChIKeyRQYXAUWMYCVKAD-UHFFFAOYSA-N
XLogP0.25
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (CID 58345939) is 4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide is Cn1ncc2c(N3CCS(=O)(=O)CC3)nc(Cl)nc21.
What is the InChIKey of 4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is RQYXAUWMYCVKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O2S/c1-15-8-7(6-12-15)9(14-10(11)13-8)16-2-4-19(17,18)5-3-16/h6H,2-5H2,1H3.
What are the key properties of 4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 301.76 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 58345939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).