6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one

C11H15N5OS — CID 80608637

IUPAC6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
SMILESCCCNc1nnc(Cn2cnc(C)cc2=O)s1
InChIInChI=1S/C11H15N5OS/c1-3-4-12-11-15-14-9(18-11)6-16-7-13-8(2)5-10(16)17/h5,7H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyPNDXXXSRJWZCDM-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.27
Rot. Bonds5

About 6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one

6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one (PubChem CID 80608637) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
PubChem CID80608637
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
SMILESCCCNc1nnc(Cn2cnc(C)cc2=O)s1
InChIInChI=1S/C11H15N5OS/c1-3-4-12-11-15-14-9(18-11)6-16-7-13-8(2)5-10(16)17/h5,7H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyPNDXXXSRJWZCDM-UHFFFAOYSA-N
XLogP1.27
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one (CID 80608637) is 6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one is CCCNc1nnc(Cn2cnc(C)cc2=O)s1.
What is the InChIKey of 6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one?
The InChIKey is PNDXXXSRJWZCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-3-4-12-11-15-14-9(18-11)6-16-7-13-8(2)5-10(16)17/h5,7H,3-4,6H2,1-2H3,(H,12,15).
What are the key properties of 6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one?
6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one has a molecular weight of 265.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 80608637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).