3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione

C11H15N5O2S — CID 80607736

IUPAC3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2nnc(NC)s2)c1=O
InChIInChI=1S/C11H15N5O2S/c1-3-5-15-6-4-9(17)16(11(15)18)7-8-13-14-10(12-2)19-8/h4,6H,3,5,7H2,1-2H3,(H,12,14)
InChIKeyBIKDHMHCVYOOSR-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.36
Rot. Bonds5

About 3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione

3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione (PubChem CID 80607736) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione
PubChem CID80607736
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2nnc(NC)s2)c1=O
InChIInChI=1S/C11H15N5O2S/c1-3-5-15-6-4-9(17)16(11(15)18)7-8-13-14-10(12-2)19-8/h4,6H,3,5,7H2,1-2H3,(H,12,14)
InChIKeyBIKDHMHCVYOOSR-UHFFFAOYSA-N
XLogP0.36
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione (CID 80607736) is 3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(Cc2nnc(NC)s2)c1=O.
What is the InChIKey of 3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is BIKDHMHCVYOOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-3-5-15-6-4-9(17)16(11(15)18)7-8-13-14-10(12-2)19-8/h4,6H,3,5,7H2,1-2H3,(H,12,14).
What are the key properties of 3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione?
3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 281.34 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 80607736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).