3-[(5-aminothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one

C9H11N5OS — CID 63770601

IUPAC3-[(5-aminothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2nnsc2N)c(C)n1
InChIInChI=1S/C9H11N5OS/c1-5-3-8(15)14(6(2)11-5)4-7-9(10)16-13-12-7/h3H,4,10H2,1-2H3
InChIKeyJVQQTUNALBEMDE-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.34
Rot. Bonds2

About 3-[(5-aminothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one

3-[(5-aminothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 63770601) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 3-[(5-aminothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-aminothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one
PubChem CID63770601
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name3-[(5-aminothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2nnsc2N)c(C)n1
InChIInChI=1S/C9H11N5OS/c1-5-3-8(15)14(6(2)11-5)4-7-9(10)16-13-12-7/h3H,4,10H2,1-2H3
InChIKeyJVQQTUNALBEMDE-UHFFFAOYSA-N
XLogP0.34
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.34
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
2,6-Dimethyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 55237819
3-[(5-Aminothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
CID 62193285
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-Aminothiadiazol-4-yl)methyl]pyridin-2-one
CID 62207620
1-[(5-Aminothiadiazol-4-yl)methyl]-6-methylpyridin-2-one
CID 62208026
3-[(5-Hydrazinylthiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
CID 62245036
3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 63768347
3-[[5-(Methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 63768516
3-[[5-(Propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 63768693

Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[(5-aminothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one (CID 63770601) is 3-[(5-aminothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[(5-aminothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[(5-aminothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(Cc2nnsc2N)c(C)n1.
What is the InChIKey of 3-[(5-aminothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is JVQQTUNALBEMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-5-3-8(15)14(6(2)11-5)4-7-9(10)16-13-12-7/h3H,4,10H2,1-2H3.
What are the key properties of 3-[(5-aminothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one?
3-[(5-aminothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 237.29 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63770601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).