2-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-tert-butylbenzenesulfonamide

C17H22N4O2S — CID 77096904

IUPAC2-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1nc(N)nc2c1CCC2
InChIInChI=1S/C17H22N4O2S/c1-17(2,3)21-24(22,23)14-10-5-4-7-12(14)15-11-8-6-9-13(11)19-16(18)20-15/h4-5,7,10,21H,6,8-9H2,1-3H3,(H2,18,19,20)
InChIKeyVUVJKXGTGLHFOP-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.29
Rot. Bonds3

About 2-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-tert-butylbenzenesulfonamide

2-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-tert-butylbenzenesulfonamide (PubChem CID 77096904) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-tert-butylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-tert-butylbenzenesulfonamide
PubChem CID77096904
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1nc(N)nc2c1CCC2
InChIInChI=1S/C17H22N4O2S/c1-17(2,3)21-24(22,23)14-10-5-4-7-12(14)15-11-8-6-9-13(11)19-16(18)20-15/h4-5,7,10,21H,6,8-9H2,1-3H3,(H2,18,19,20)
InChIKeyVUVJKXGTGLHFOP-UHFFFAOYSA-N
XLogP2.29
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-tert-butylbenzenesulfonamide?
The IUPAC name of 2-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-tert-butylbenzenesulfonamide (CID 77096904) is 2-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-tert-butylbenzenesulfonamide.
What is the SMILES notation for 2-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-tert-butylbenzenesulfonamide?
The canonical SMILES for 2-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-tert-butylbenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccccc1-c1nc(N)nc2c1CCC2.
What is the InChIKey of 2-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-tert-butylbenzenesulfonamide?
The InChIKey is VUVJKXGTGLHFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-17(2,3)21-24(22,23)14-10-5-4-7-12(14)15-11-8-6-9-13(11)19-16(18)20-15/h4-5,7,10,21H,6,8-9H2,1-3H3,(H2,18,19,20).
What are the key properties of 2-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-tert-butylbenzenesulfonamide?
2-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-tert-butylbenzenesulfonamide has a molecular weight of 346.46 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-tert-butylbenzenesulfonamide is sourced from PubChem (CID 77096904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).