N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide

C12H20N4O3S — CID 62147723

IUPACN-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NC2CCOCC2)cn1
InChIInChI=1S/C12H20N4O3S/c1-2-5-13-12-14-8-11(9-15-12)20(17,18)16-10-3-6-19-7-4-10/h8-10,16H,2-7H2,1H3,(H,13,14,15)
InChIKeyQRBKBQCXBXYQMD-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.76
Rot. Bonds6

About N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide

N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide (PubChem CID 62147723) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide
PubChem CID62147723
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NC2CCOCC2)cn1
InChIInChI=1S/C12H20N4O3S/c1-2-5-13-12-14-8-11(9-15-12)20(17,18)16-10-3-6-19-7-4-10/h8-10,16H,2-7H2,1H3,(H,13,14,15)
InChIKeyQRBKBQCXBXYQMD-UHFFFAOYSA-N
XLogP0.76
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(oxan-4-yl)-2-(propylamino)pyrimidine-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 N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide (CID 62147723) is N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide is CCCNc1ncc(S(=O)(=O)NC2CCOCC2)cn1.
What is the InChIKey of N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide?
The InChIKey is QRBKBQCXBXYQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-2-5-13-12-14-8-11(9-15-12)20(17,18)16-10-3-6-19-7-4-10/h8-10,16H,2-7H2,1H3,(H,13,14,15).
What are the key properties of N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide?
N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62147723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).