2-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C13H12N4O2S — CID 141391150

IUPAC2-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)c2nc(N)c3cc[nH]c3n2)cc1
InChIInChI=1S/C13H12N4O2S/c1-8-2-4-9(5-3-8)20(18,19)13-16-11(14)10-6-7-15-12(10)17-13/h2-7H,1H3,(H3,14,15,16,17)
InChIKeyQUQAKXJMBYXCNV-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.68
Rot. Bonds2

About 2-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 141391150) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID141391150
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name2-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)c2nc(N)c3cc[nH]c3n2)cc1
InChIInChI=1S/C13H12N4O2S/c1-8-2-4-9(5-3-8)20(18,19)13-16-11(14)10-6-7-15-12(10)17-13/h2-7H,1H3,(H3,14,15,16,17)
InChIKeyQUQAKXJMBYXCNV-UHFFFAOYSA-N
XLogP1.68
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 141391150) is 2-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc(S(=O)(=O)c2nc(N)c3cc[nH]c3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QUQAKXJMBYXCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-8-2-4-9(5-3-8)20(18,19)13-16-11(14)10-6-7-15-12(10)17-13/h2-7H,1H3,(H3,14,15,16,17).
What are the key properties of 2-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 288.33 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 141391150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).