3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(furan-2-ylmethyl)propanamide

C15H17F2N3O2S — CID 17416000

IUPAC3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCc1nc(SC(F)F)nc(C)c1CCC(=O)NCc1ccco1
InChIInChI=1S/C15H17F2N3O2S/c1-9-12(10(2)20-15(19-9)23-14(16)17)5-6-13(21)18-8-11-4-3-7-22-11/h3-4,7,14H,5-6,8H2,1-2H3,(H,18,21)
InChIKeyBVRMTDDULDXFMD-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.25
Rot. Bonds7

About 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(furan-2-ylmethyl)propanamide

3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 17416000) has the molecular formula C15H17F2N3O2S and a molecular weight of 341.38 g/mol. Its IUPAC name is 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID17416000
Molecular FormulaC15H17F2N3O2S
Molecular Weight341.38 g/mol
Exact Mass341.10
IUPAC Name3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCc1nc(SC(F)F)nc(C)c1CCC(=O)NCc1ccco1
InChIInChI=1S/C15H17F2N3O2S/c1-9-12(10(2)20-15(19-9)23-14(16)17)5-6-13(21)18-8-11-4-3-7-22-11/h3-4,7,14H,5-6,8H2,1-2H3,(H,18,21)
InChIKeyBVRMTDDULDXFMD-UHFFFAOYSA-N
XLogP3.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(furan-2-ylmethyl)propanamide 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

3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 8927244
3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(2-ethylphenyl)propanamide
CID 8927568
3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 9456624
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 53069405
N-(furan-2-ylmethyl)-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 42796779
N-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide
CID 109018491
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
N-[4-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 30784048
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 33446336
N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 4218299

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(furan-2-ylmethyl)propanamide (CID 17416000) is 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(furan-2-ylmethyl)propanamide is Cc1nc(SC(F)F)nc(C)c1CCC(=O)NCc1ccco1.
What is the InChIKey of 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is BVRMTDDULDXFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2S/c1-9-12(10(2)20-15(19-9)23-14(16)17)5-6-13(21)18-8-11-4-3-7-22-11/h3-4,7,14H,5-6,8H2,1-2H3,(H,18,21).
What are the key properties of 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(furan-2-ylmethyl)propanamide?
3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 341.38 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 17416000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).