6-amino-1,3-dimethyl-5-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione

C12H15N5O3S2 — CID 40918284

IUPAC6-amino-1,3-dimethyl-5-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione
SMILESCc1nnc(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)s1
InChIInChI=1S/C12H15N5O3S2/c1-5(21-11-15-14-6(2)22-11)8(18)7-9(13)16(3)12(20)17(4)10(7)19/h5H,13H2,1-4H3/t5-/m0/s1
InChIKeyPCDTWQYPPDOUHZ-YFKPBYRVSA-N
MW341.42 g/mol
LogP0.19
Rot. Bonds4

About 6-amino-1,3-dimethyl-5-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione (PubChem CID 40918284) has the molecular formula C12H15N5O3S2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione
PubChem CID40918284
Molecular FormulaC12H15N5O3S2
Molecular Weight341.42 g/mol
Exact Mass341.06
IUPAC Name6-amino-1,3-dimethyl-5-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione
SMILESCc1nnc(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)s1
InChIInChI=1S/C12H15N5O3S2/c1-5(21-11-15-14-6(2)22-11)8(18)7-9(13)16(3)12(20)17(4)10(7)19/h5H,13H2,1-4H3/t5-/m0/s1
InChIKeyPCDTWQYPPDOUHZ-YFKPBYRVSA-N
XLogP0.19
TPSA112.87 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

6-amino-1,3-dimethyl-5-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione
CID 55989814
6-amino-1,3-dimethyl-5-[(2R)-2-pyrimidin-2-ylsulfanylpropanoyl]pyrimidine-2,4-dione
CID 40803849
6-amino-5-[(2R)-2-(4-fluorophenyl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 27171786
6-amino-1,3-dimethyl-5-[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]pyrimidine-2,4-dione
CID 42973814
6-amino-5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 42986879
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 4815431
6-amino-5-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 46815217
6-amino-5-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 46608367
6-amino-5-[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 55562318
6-amino-5-[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 40789429
ethyl 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 3170095
6-amino-5-[2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 42979139

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione (CID 40918284) is 6-amino-1,3-dimethyl-5-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione is Cc1nnc(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)s1.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione?
The InChIKey is PCDTWQYPPDOUHZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C12H15N5O3S2/c1-5(21-11-15-14-6(2)22-11)8(18)7-9(13)16(3)12(20)17(4)10(7)19/h5H,13H2,1-4H3/t5-/m0/s1.
What are the key properties of 6-amino-1,3-dimethyl-5-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione has a molecular weight of 341.42 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione is sourced from PubChem (CID 40918284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).