3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide

C15H16FN3OS — CID 851324

IUPAC3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide
SMILESCc1cc(C)nc(SCCC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C15H16FN3OS/c1-10-9-11(2)18-15(17-10)21-8-7-14(20)19-13-5-3-12(16)4-6-13/h3-6,9H,7-8H2,1-2H3,(H,19,20)
InChIKeyMEVNFKRQWFXSAB-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.35
Rot. Bonds5

About 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide

3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide (PubChem CID 851324) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide
PubChem CID851324
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide
SMILESCc1cc(C)nc(SCCC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C15H16FN3OS/c1-10-9-11(2)18-15(17-10)21-8-7-14(20)19-13-5-3-12(16)4-6-13/h3-6,9H,7-8H2,1-2H3,(H,19,20)
InChIKeyMEVNFKRQWFXSAB-UHFFFAOYSA-N
XLogP3.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide
CID 134433738
N-[4-(4,6-Dimethyl-pyrimidin-2-ylamino)-phenyl]-acetamide
CID 734481
N-(2,4-difluorophenyl)-N'-(4,6-dimethyl-2-pyrimidinyl)urea
CID 971626
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(2-fluorophenyl)propanamide
CID 5161833
(2-Anilino-2-oxoethyl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 16300904
2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]-N-phenylacetamide
CID 665238
2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 1611923
N-(2,2-Dimethyl-propionyl)-N'-(4,6-dimethyl-pyrimidin-2-yl)-N''-(4-fluoro-phenyl)-guanidine
CID 135437343
N-{4-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidamido]phenyl}propanamide
CID 9600790
N-(4-chloro-2-fluorophenyl)-2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 1342108
3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(2-methylphenyl)propanamide
CID 851325
N-(tert-butyl)-2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]ace tamide
CID 1146213

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide (CID 851324) is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide is Cc1cc(C)nc(SCCC(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide?
The InChIKey is MEVNFKRQWFXSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c1-10-9-11(2)18-15(17-10)21-8-7-14(20)19-13-5-3-12(16)4-6-13/h3-6,9H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide?
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide has a molecular weight of 305.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 851324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).