1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide

C10H14N4O3S — CID 107600424

IUPAC1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)Nc1nc(C)cc(OC)n1
InChIInChI=1S/C10H14N4O3S/c1-4-8(6-11)18(15,16)14-10-12-7(2)5-9(13-10)17-3/h5,8H,4H2,1-3H3,(H,12,13,14)
InChIKeyUIFRKEQOOHFUNV-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.84
Rot. Bonds5

About 1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide

1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide (PubChem CID 107600424) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide
PubChem CID107600424
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)Nc1nc(C)cc(OC)n1
InChIInChI=1S/C10H14N4O3S/c1-4-8(6-11)18(15,16)14-10-12-7(2)5-9(13-10)17-3/h5,8H,4H2,1-3H3,(H,12,13,14)
InChIKeyUIFRKEQOOHFUNV-UHFFFAOYSA-N
XLogP0.84
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-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

2-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanethioamide
CID 107600498
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107605614
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107652681
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601008
4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601659
2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide
CID 107600321
4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide
CID 107602665
N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(methylamino)propane-1-sulfonamide
CID 106089355
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-2-sulfonamide
CID 107603209
N-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 104599523
4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 112691022
methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate
CID 107605578

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide (CID 107600424) is 1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide is CCC(C#N)S(=O)(=O)Nc1nc(C)cc(OC)n1.
What is the InChIKey of 1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide?
The InChIKey is UIFRKEQOOHFUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-4-8(6-11)18(15,16)14-10-12-7(2)5-9(13-10)17-3/h5,8H,4H2,1-3H3,(H,12,13,14).
What are the key properties of 1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide?
1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide has a molecular weight of 270.31 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 107600424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).