(2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide

C14H19N5O2S — CID 125156880

IUPAC(2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESCc1cc(C)nc(S[C@H](C)C(=O)N(C)Cc2nnc(C)o2)n1
InChIInChI=1S/C14H19N5O2S/c1-8-6-9(2)16-14(15-8)22-10(3)13(20)19(5)7-12-18-17-11(4)21-12/h6,10H,7H2,1-5H3/t10-/m1/s1
InChIKeyDNTAUZWVRLUDJX-SNVBAGLBSA-N
MW321.41 g/mol
LogP1.92
Rot. Bonds5

About (2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide

(2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide (PubChem CID 125156880) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is (2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
PubChem CID125156880
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name(2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESCc1cc(C)nc(S[C@H](C)C(=O)N(C)Cc2nnc(C)o2)n1
InChIInChI=1S/C14H19N5O2S/c1-8-6-9(2)16-14(15-8)22-10(3)13(20)19(5)7-12-18-17-11(4)21-12/h6,10H,7H2,1-5H3/t10-/m1/s1
InChIKeyDNTAUZWVRLUDJX-SNVBAGLBSA-N
XLogP1.92
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The IUPAC name of (2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide (CID 125156880) is (2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide is Cc1cc(C)nc(S[C@H](C)C(=O)N(C)Cc2nnc(C)o2)n1.
What is the InChIKey of (2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The InChIKey is DNTAUZWVRLUDJX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-8-6-9(2)16-14(15-8)22-10(3)13(20)19(5)7-12-18-17-11(4)21-12/h6,10H,7H2,1-5H3/t10-/m1/s1.
What are the key properties of (2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
(2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide has a molecular weight of 321.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 125156880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).