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

C18H21F2N3O2S — CID 8927244

IUPAC3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCc1c(C)nc(SC(F)F)nc1C
InChIInChI=1S/C18H21F2N3O2S/c1-11-14(12(2)23-18(22-11)26-17(19)20)8-9-16(24)21-10-13-6-4-5-7-15(13)25-3/h4-7,17H,8-10H2,1-3H3,(H,21,24)
InChIKeyBFZHFUKQLCUMGY-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.67
Rot. Bonds8

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

3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 8927244) has the molecular formula C18H21F2N3O2S and a molecular weight of 381.45 g/mol. Its IUPAC name is 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID8927244
Molecular FormulaC18H21F2N3O2S
Molecular Weight381.45 g/mol
Exact Mass381.13
IUPAC Name3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCc1c(C)nc(SC(F)F)nc1C
InChIInChI=1S/C18H21F2N3O2S/c1-11-14(12(2)23-18(22-11)26-17(19)20)8-9-16(24)21-10-13-6-4-5-7-15(13)25-3/h4-7,17H,8-10H2,1-3H3,(H,21,24)
InChIKeyBFZHFUKQLCUMGY-UHFFFAOYSA-N
XLogP3.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 8927521
3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(furan-2-ylmethyl)propanamide
CID 17416000
3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(2-ethylphenyl)propanamide
CID 8927568
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]propanamide
CID 55806270
N-[(2-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24574499
3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 9456624
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 9404923
N-[(2-methoxyphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 110468458
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 109021998
N-[(2-methoxyphenyl)methyl]-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide
CID 23603026
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20862904

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide (CID 8927244) is 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCc1c(C)nc(SC(F)F)nc1C.
What is the InChIKey of 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is BFZHFUKQLCUMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2S/c1-11-14(12(2)23-18(22-11)26-17(19)20)8-9-16(24)21-10-13-6-4-5-7-15(13)25-3/h4-7,17H,8-10H2,1-3H3,(H,21,24).
What are the key properties of 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 381.45 g/mol, XLogP of 3.67, 8 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-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 8927244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).