1-(2,5-difluorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide

C15H18F2N4O2S — CID 122356388

IUPAC1-(2,5-difluorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide
SMILESCc1nc(N(C)C)nc(C)c1NS(=O)(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C15H18F2N4O2S/c1-9-14(10(2)19-15(18-9)21(3)4)20-24(22,23)8-11-7-12(16)5-6-13(11)17/h5-7,20H,8H2,1-4H3
InChIKeyHWEKGOCCEPOPLK-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.38
Rot. Bonds5

About 1-(2,5-difluorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide

1-(2,5-difluorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide (PubChem CID 122356388) has the molecular formula C15H18F2N4O2S and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide
PubChem CID122356388
Molecular FormulaC15H18F2N4O2S
Molecular Weight356.40 g/mol
Exact Mass356.11
IUPAC Name1-(2,5-difluorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide
SMILESCc1nc(N(C)C)nc(C)c1NS(=O)(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C15H18F2N4O2S/c1-9-14(10(2)19-15(18-9)21(3)4)20-24(22,23)8-11-7-12(16)5-6-13(11)17/h5-7,20H,8H2,1-4H3
InChIKeyHWEKGOCCEPOPLK-UHFFFAOYSA-N
XLogP2.38
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-difluorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide 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

1-(2,5-difluorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide
CID 122356720
1-(4-chlorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide
CID 122356387
1-(2,5-difluorophenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]methanesulfonamide
CID 122309495
1-(2,5-difluorophenyl)-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 122293495
2-(2,5-difluorophenyl)-N-[2-(dimethylamino)pyrimidin-4-yl]acetamide
CID 71869180
4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80845995
(2,5-difluorophenyl)methanesulfonyl fluoride
CID 138392013
1-(2,5-difluorophenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide
CID 122295785
1-(5-chloro-2-fluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 99841878
1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide
CID 90635069
1-(2,5-difluorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 122286474
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide
CID 122303319

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide (CID 122356388) is 1-(2,5-difluorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide is Cc1nc(N(C)C)nc(C)c1NS(=O)(=O)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide?
The InChIKey is HWEKGOCCEPOPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2S/c1-9-14(10(2)19-15(18-9)21(3)4)20-24(22,23)8-11-7-12(16)5-6-13(11)17/h5-7,20H,8H2,1-4H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide?
1-(2,5-difluorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide has a molecular weight of 356.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide is sourced from PubChem (CID 122356388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).