1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione

C8H9N5O2S — CID 62209390

IUPAC1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
SMILESCNc1snnc1Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C8H9N5O2S/c1-9-7-5(11-12-16-7)4-13-3-2-6(14)10-8(13)15/h2-3,9H,4H2,1H3,(H,10,14,15)
InChIKeyGPTWLAOTPINVHY-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.52
Rot. Bonds3

About 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione

1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione (PubChem CID 62209390) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
PubChem CID62209390
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Name1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
SMILESCNc1snnc1Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C8H9N5O2S/c1-9-7-5(11-12-16-7)4-13-3-2-6(14)10-8(13)15/h2-3,9H,4H2,1H3,(H,10,14,15)
InChIKeyGPTWLAOTPINVHY-UHFFFAOYSA-N
XLogP-0.52
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(5-Aminothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione
CID 63556803
5-Fluoro-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
CID 63557395
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-5-fluoropyrimidine-2,4-dione
CID 63557396
5-Fluoro-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
CID 63557397
3-[[5-(Propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 55046622
1-Methyl-4-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrazine-2,3-dione
CID 55157395
1-[[5-(Methylamino)thiadiazol-4-yl]methyl]-5-nitropyrimidine-2,4-dione
CID 55239379
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
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-6-methylpyridin-2-one
CID 62193450
1-[[5-(Methylamino)thiadiazol-4-yl]methyl]pyridin-2-one
CID 62208320
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]pyridin-2-one
CID 62208485

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione (CID 62209390) is 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione is CNc1snnc1Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is GPTWLAOTPINVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-9-7-5(11-12-16-7)4-13-3-2-6(14)10-8(13)15/h2-3,9H,4H2,1H3,(H,10,14,15).
What are the key properties of 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione?
1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 239.26 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 62209390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).