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

C12H17N5OS — CID 55234917

IUPAC2,6-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
SMILESCCCNc1snnc1Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C12H17N5OS/c1-4-5-13-12-10(15-16-19-12)7-17-9(3)14-8(2)6-11(17)18/h6,13H,4-5,7H2,1-3H3
InChIKeyKXXFKPDYDHWGFO-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.58
Rot. Bonds5

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

2,6-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one (PubChem CID 55234917) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 2,6-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
PubChem CID55234917
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name2,6-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
SMILESCCCNc1snnc1Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C12H17N5OS/c1-4-5-13-12-10(15-16-19-12)7-17-9(3)14-8(2)6-11(17)18/h6,13H,4-5,7H2,1-3H3
InChIKeyKXXFKPDYDHWGFO-UHFFFAOYSA-N
XLogP1.58
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one (CID 55234917) is 2,6-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one is CCCNc1snnc1Cn1c(C)nc(C)cc1=O.
What is the InChIKey of 2,6-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one?
The InChIKey is KXXFKPDYDHWGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-4-5-13-12-10(15-16-19-12)7-17-9(3)14-8(2)6-11(17)18/h6,13H,4-5,7H2,1-3H3.
What are the key properties of 2,6-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one?
2,6-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one has a molecular weight of 279.37 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 55234917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).