4-amino-2-cyclopentyloxypyrimidine-5-sulfonamide

C9H14N4O3S — CID 70694175

IUPAC4-amino-2-cyclopentyloxypyrimidine-5-sulfonamide
SMILESNc1nc(OC2CCCC2)ncc1S(N)(=O)=O
InChIInChI=1S/C9H14N4O3S/c10-8-7(17(11,14)15)5-12-9(13-8)16-6-3-1-2-4-6/h5-6H,1-4H2,(H2,10,12,13)(H2,11,14,15)
InChIKeyJBXPVKLHPRBQBT-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.03
Rot. Bonds3

About 4-amino-2-cyclopentyloxypyrimidine-5-sulfonamide

4-amino-2-cyclopentyloxypyrimidine-5-sulfonamide (PubChem CID 70694175) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-amino-2-cyclopentyloxypyrimidine-5-sulfonamide.

Molecular Properties

Compound Name4-amino-2-cyclopentyloxypyrimidine-5-sulfonamide
PubChem CID70694175
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name4-amino-2-cyclopentyloxypyrimidine-5-sulfonamide
SMILESNc1nc(OC2CCCC2)ncc1S(N)(=O)=O
InChIInChI=1S/C9H14N4O3S/c10-8-7(17(11,14)15)5-12-9(13-8)16-6-3-1-2-4-6/h5-6H,1-4H2,(H2,10,12,13)(H2,11,14,15)
InChIKeyJBXPVKLHPRBQBT-UHFFFAOYSA-N
XLogP0.03
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-cyclopentyloxypyrimidine-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclopentyloxypyrimidine-5-sulfonamide?
The IUPAC name of 4-amino-2-cyclopentyloxypyrimidine-5-sulfonamide (CID 70694175) is 4-amino-2-cyclopentyloxypyrimidine-5-sulfonamide.
What is the SMILES notation for 4-amino-2-cyclopentyloxypyrimidine-5-sulfonamide?
The canonical SMILES for 4-amino-2-cyclopentyloxypyrimidine-5-sulfonamide is Nc1nc(OC2CCCC2)ncc1S(N)(=O)=O.
What is the InChIKey of 4-amino-2-cyclopentyloxypyrimidine-5-sulfonamide?
The InChIKey is JBXPVKLHPRBQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c10-8-7(17(11,14)15)5-12-9(13-8)16-6-3-1-2-4-6/h5-6H,1-4H2,(H2,10,12,13)(H2,11,14,15).
What are the key properties of 4-amino-2-cyclopentyloxypyrimidine-5-sulfonamide?
4-amino-2-cyclopentyloxypyrimidine-5-sulfonamide has a molecular weight of 258.30 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclopentyloxypyrimidine-5-sulfonamide is sourced from PubChem (CID 70694175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).