6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione

C12H16N6O3S2 — CID 16524252

IUPAC6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2nnc(N)s2)c(=O)n(C)c1=O
InChIInChI=1S/C12H16N6O3S2/c1-3-4-18-8(13)7(9(20)17(2)12(18)21)6(19)5-22-11-16-15-10(14)23-11/h3-5,13H2,1-2H3,(H2,14,15)
InChIKeyJBIJEMQJQHJWDJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP-0.05
Rot. Bonds6

About 6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione

6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 16524252) has the molecular formula C12H16N6O3S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID16524252
Molecular FormulaC12H16N6O3S2
Molecular Weight356.43 g/mol
Exact Mass356.07
IUPAC Name6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2nnc(N)s2)c(=O)n(C)c1=O
InChIInChI=1S/C12H16N6O3S2/c1-3-4-18-8(13)7(9(20)17(2)12(18)21)6(19)5-22-11-16-15-10(14)23-11/h3-5,13H2,1-2H3,(H2,14,15)
InChIKeyJBIJEMQJQHJWDJ-UHFFFAOYSA-N
XLogP-0.05
TPSA138.89 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 16524218
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-ethyltetrazol-5-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 24523317
6-amino-5-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 3947933
6-amino-3-methyl-5-[2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
CID 16511436
6-amino-1-benzyl-5-[2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-3-methylpyrimidine-2,4-dione
CID 4554531
6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 9324737
6-amino-3-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione
CID 7145291
6-amino-5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 6416531
6-amino-3-methyl-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione
CID 8901624
6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2682315
6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 16534778

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione (CID 16524252) is 6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CSc2nnc(N)s2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is JBIJEMQJQHJWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3S2/c1-3-4-18-8(13)7(9(20)17(2)12(18)21)6(19)5-22-11-16-15-10(14)23-11/h3-5,13H2,1-2H3,(H2,14,15).
What are the key properties of 6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 356.43 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 16524252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).