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

C10H13N5OS — CID 55237819

IUPAC2,6-dimethyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
SMILESCNc1snnc1Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C10H13N5OS/c1-6-4-9(16)15(7(2)12-6)5-8-10(11-3)17-14-13-8/h4,11H,5H2,1-3H3
InChIKeyTUPZHDGRAJWUAL-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.80
Rot. Bonds3

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

2,6-dimethyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one (PubChem CID 55237819) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2,6-dimethyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
PubChem CID55237819
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name2,6-dimethyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
SMILESCNc1snnc1Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C10H13N5OS/c1-6-4-9(16)15(7(2)12-6)5-8-10(11-3)17-14-13-8/h4,11H,5H2,1-3H3
InChIKeyTUPZHDGRAJWUAL-UHFFFAOYSA-N
XLogP0.80
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-6-methylpyrimidin-4-one
CID 55044777
2,6-Dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 55234917
3-[(5-Aminothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
CID 62193285
6-Methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridin-2-one
CID 62193449
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-6-methylpyridin-2-one
CID 62193450
6-Methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridin-2-one
CID 62193451
6-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 62193812
6-Methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 62193813
1-[[5-(Methylamino)thiadiazol-4-yl]methyl]pyridin-2-one
CID 62208320
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]pyridin-2-one
CID 62208485
1-[[5-(Propylamino)thiadiazol-4-yl]methyl]pyridin-2-one
CID 62208486
3-[(5-Hydrazinylthiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
CID 62245036

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one (CID 55237819) is 2,6-dimethyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one is CNc1snnc1Cn1c(C)nc(C)cc1=O.
What is the InChIKey of 2,6-dimethyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one?
The InChIKey is TUPZHDGRAJWUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-6-4-9(16)15(7(2)12-6)5-8-10(11-3)17-14-13-8/h4,11H,5H2,1-3H3.
What are the key properties of 2,6-dimethyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one?
2,6-dimethyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one has a molecular weight of 251.31 g/mol, XLogP of 0.80, 3 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-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 55237819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).