3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one

C8H9N5OS — CID 63768516

IUPAC3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
SMILESCNc1snnc1Cn1cnccc1=O
InChIInChI=1S/C8H9N5OS/c1-9-8-6(11-12-15-8)4-13-5-10-3-2-7(13)14/h2-3,5,9H,4H2,1H3
InChIKeyBZHWLDPMPAESFU-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.18
Rot. Bonds3

About 3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one

3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one (PubChem CID 63768516) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
PubChem CID63768516
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
SMILESCNc1snnc1Cn1cnccc1=O
InChIInChI=1S/C8H9N5OS/c1-9-8-6(11-12-15-8)4-13-5-10-3-2-7(13)14/h2-3,5,9H,4H2,1H3
InChIKeyBZHWLDPMPAESFU-UHFFFAOYSA-N
XLogP0.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.18
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-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 55044991
1-Methyl-4-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrazine-2,3-dione
CID 55157395
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-(Ethylamino)thiadiazol-4-yl]methyl]-1-methylpyrimidine-2,4-dione
CID 55239762
1-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
CID 55239763
2-[[5-(propylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 62189469
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-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 62193812

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one (CID 63768516) is 3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one is CNc1snnc1Cn1cnccc1=O.
What is the InChIKey of 3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one?
The InChIKey is BZHWLDPMPAESFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-9-8-6(11-12-15-8)4-13-5-10-3-2-7(13)14/h2-3,5,9H,4H2,1H3.
What are the key properties of 3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one?
3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one has a molecular weight of 223.26 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 63768516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).