(2R)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)propanamide

C16H15FN4OS — CID 33228420

IUPAC(2R)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)propanamide
SMILESCc1nc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccccc2F)n1
InChIInChI=1S/C16H15FN4OS/c1-9-12(8-18)16(20-11(3)19-9)23-10(2)15(22)21-14-7-5-4-6-13(14)17/h4-7,10H,1-3H3,(H,21,22)/t10-/m1/s1
InChIKeySNDUNKQWJLYDQN-SNVBAGLBSA-N
MW330.39 g/mol
LogP3.22
Rot. Bonds4

About (2R)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)propanamide

(2R)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)propanamide (PubChem CID 33228420) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is (2R)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)propanamide
PubChem CID33228420
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name(2R)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)propanamide
SMILESCc1nc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccccc2F)n1
InChIInChI=1S/C16H15FN4OS/c1-9-12(8-18)16(20-11(3)19-9)23-10(2)15(22)21-14-7-5-4-6-13(14)17/h4-7,10H,1-3H3,(H,21,22)/t10-/m1/s1
InChIKeySNDUNKQWJLYDQN-SNVBAGLBSA-N
XLogP3.22
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 24630972
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-propan-2-ylphenyl)propanamide
CID 46624921
N-(2-fluorophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 4802783
(2R)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,3,4-trifluorophenyl)propanamide
CID 40552294
2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-(2-fluorophenyl)propanamide
CID 23830479
N-(2-fluorophenyl)-2-phenylsulfanylpropanamide
CID 2959569
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-phenylphenyl)propanamide
CID 42981996
(2S)-N-(2-fluorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]propanamide
CID 7558247
2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 42883471
2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42883921
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-fluorophenyl)propanamide
CID 17400774
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-fluorophenyl)propanamide
CID 41037714

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)propanamide (CID 33228420) is (2R)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)propanamide is Cc1nc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccccc2F)n1.
What is the InChIKey of (2R)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)propanamide?
The InChIKey is SNDUNKQWJLYDQN-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-9-12(8-18)16(20-11(3)19-9)23-10(2)15(22)21-14-7-5-4-6-13(14)17/h4-7,10H,1-3H3,(H,21,22)/t10-/m1/s1.
What are the key properties of (2R)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)propanamide?
(2R)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)propanamide has a molecular weight of 330.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 33228420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).