(2R)-N-(2,6-difluorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide

C16H17F2N3OS — CID 8735122

IUPAC(2R)-N-(2,6-difluorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1nc(S[C@H](C)C(=O)Nc2c(F)cccc2F)nc(C)c1C
InChIInChI=1S/C16H17F2N3OS/c1-8-9(2)19-16(20-10(8)3)23-11(4)15(22)21-14-12(17)6-5-7-13(14)18/h5-7,11H,1-4H3,(H,21,22)/t11-/m1/s1
InChIKeyOXYJVMAZTUKEGA-LLVKDONJSA-N
MW337.40 g/mol
LogP3.80
Rot. Bonds4

About (2R)-N-(2,6-difluorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide

(2R)-N-(2,6-difluorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide (PubChem CID 8735122) has the molecular formula C16H17F2N3OS and a molecular weight of 337.40 g/mol. Its IUPAC name is (2R)-N-(2,6-difluorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2,6-difluorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
PubChem CID8735122
Molecular FormulaC16H17F2N3OS
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name(2R)-N-(2,6-difluorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1nc(S[C@H](C)C(=O)Nc2c(F)cccc2F)nc(C)c1C
InChIInChI=1S/C16H17F2N3OS/c1-8-9(2)19-16(20-10(8)3)23-11(4)15(22)21-14-12(17)6-5-7-13(14)18/h5-7,11H,1-4H3,(H,21,22)/t11-/m1/s1
InChIKeyOXYJVMAZTUKEGA-LLVKDONJSA-N
XLogP3.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 978027
N-(2,6-difluorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide
CID 46435717
N-(2,6-difluorophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide
CID 51236469
N-(2,6-difluorophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide
CID 51237233
N-(2-cyanophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 17434437
(2S)-N-(2-chloro-3-pyridinyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 8735108
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide
CID 8985929
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,6-dimethylphenyl)propanamide
CID 865761
2-amino-N-(2,6-difluorophenyl)propanamide
CID 43087644
N-(2,6-dimethylphenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 51235703
(2S)-N-(2,6-dimethylphenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8954152
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-fluorophenyl)propanamide
CID 17400774

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,6-difluorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(2,6-difluorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide (CID 8735122) is (2R)-N-(2,6-difluorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(2,6-difluorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(2,6-difluorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide is Cc1nc(S[C@H](C)C(=O)Nc2c(F)cccc2F)nc(C)c1C.
What is the InChIKey of (2R)-N-(2,6-difluorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide?
The InChIKey is OXYJVMAZTUKEGA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17F2N3OS/c1-8-9(2)19-16(20-10(8)3)23-11(4)15(22)21-14-12(17)6-5-7-13(14)18/h5-7,11H,1-4H3,(H,21,22)/t11-/m1/s1.
What are the key properties of (2R)-N-(2,6-difluorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide?
(2R)-N-(2,6-difluorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide has a molecular weight of 337.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,6-difluorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 8735122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).