N-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide

C12H22N4O4S — CID 106089584

IUPACN-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCOc1cc(OC)nc(NS(=O)(=O)C(C)CNC(C)C)n1
InChIInChI=1S/C12H22N4O4S/c1-8(2)13-7-9(3)21(17,18)16-12-14-10(19-4)6-11(15-12)20-5/h6,8-9,13H,7H2,1-5H3,(H,14,15,16)
InChIKeyWCRXCCKWPNVRIP-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.62
Rot. Bonds8

About N-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide

N-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 106089584) has the molecular formula C12H22N4O4S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID106089584
Molecular FormulaC12H22N4O4S
Molecular Weight318.40 g/mol
Exact Mass318.14
IUPAC NameN-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCOc1cc(OC)nc(NS(=O)(=O)C(C)CNC(C)C)n1
InChIInChI=1S/C12H22N4O4S/c1-8(2)13-7-9(3)21(17,18)16-12-14-10(19-4)6-11(15-12)20-5/h6,8-9,13H,7H2,1-5H3,(H,14,15,16)
InChIKeyWCRXCCKWPNVRIP-UHFFFAOYSA-N
XLogP0.62
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-methoxy-3-methylphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106053288
4-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-3-methylbutanoic acid
CID 67866584
2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 70661909
1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide
CID 107600424
2-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanethioamide
CID 107600498
N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106065488
N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106061222
N-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106073470
3-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl-methylamino]propanoic acid
CID 107624901
4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601659
N-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide
CID 106089579
N'-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine
CID 115355310

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide (CID 106089584) is N-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide is COc1cc(OC)nc(NS(=O)(=O)C(C)CNC(C)C)n1.
What is the InChIKey of N-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is WCRXCCKWPNVRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4S/c1-8(2)13-7-9(3)21(17,18)16-12-14-10(19-4)6-11(15-12)20-5/h6,8-9,13H,7H2,1-5H3,(H,14,15,16).
What are the key properties of N-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
N-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 318.40 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 106089584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).