4-methylsulfinyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C7H8N4OS — CID 89306019

IUPAC4-methylsulfinyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCS(=O)c1nc(N)nc2[nH]ccc12
InChIInChI=1S/C7H8N4OS/c1-13(12)6-4-2-3-9-5(4)10-7(8)11-6/h2-3H,1H3,(H3,8,9,10,11)
InChIKeyXKLBIMRLMVIFMP-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.28
Rot. Bonds1

About 4-methylsulfinyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-methylsulfinyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 89306019) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is 4-methylsulfinyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methylsulfinyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID89306019
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name4-methylsulfinyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCS(=O)c1nc(N)nc2[nH]ccc12
InChIInChI=1S/C7H8N4OS/c1-13(12)6-4-2-3-9-5(4)10-7(8)11-6/h2-3H,1H3,(H3,8,9,10,11)
InChIKeyXKLBIMRLMVIFMP-UHFFFAOYSA-N
XLogP0.28
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfinyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-methylsulfinyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 89306019) is 4-methylsulfinyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-methylsulfinyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-methylsulfinyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CS(=O)c1nc(N)nc2[nH]ccc12.
What is the InChIKey of 4-methylsulfinyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is XKLBIMRLMVIFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-13(12)6-4-2-3-9-5(4)10-7(8)11-6/h2-3H,1H3,(H3,8,9,10,11).
What are the key properties of 4-methylsulfinyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-methylsulfinyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 196.24 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfinyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 89306019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).