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

C14H19N5O4S2 — CID 55989814

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

6-amino-1,3-dimethyl-5-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione (PubChem CID 55989814) has the molecular formula C14H19N5O4S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-amino-1,3-dimethyl-5-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione
• PubChem CID: 55989814
• Molecular Formula: C14H19N5O4S2
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.09
• IUPAC Name: 6-amino-1,3-dimethyl-5-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione
• SMILES: CC(C)Oc1nnc(SC(C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)s1
• InChI: InChI=1S/C14H19N5O4S2/c1-6(2)23-12-16-17-13(25-12)24-7(3)9(20)8-10(15)18(4)14(22)19(5)11(8)21/h6-7H,15H2,1-5H3
• InChIKey: DOJOHOKOGOEDSN-UHFFFAOYSA-N
• XLogP: 0.67
• TPSA: 122.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	0.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione?

The IUPAC name of 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) is 6-amino-1,3-dimethyl-5-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione.

What is the SMILES notation for 6-amino-1,3-dimethyl-5-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione?

The canonical SMILES for 6-amino-1,3-dimethyl-5-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione is CC(C)Oc1nnc(SC(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-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione?

The InChIKey is DOJOHOKOGOEDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O4S2/c1-6(2)23-12-16-17-13(25-12)24-7(3)9(20)8-10(15)18(4)14(22)19(5)11(8)21/h6-7H,15H2,1-5H3.

What are the key properties of 6-amino-1,3-dimethyl-5-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione?

6-amino-1,3-dimethyl-5-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione has a molecular weight of 385.47 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-1,3-dimethyl-5-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione is sourced from PubChem (CID 55989814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).