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

C10H13N5O2S — CID 62209070

IUPAC1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
SMILESCCCNc1snnc1Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H13N5O2S/c1-2-4-11-9-7(13-14-18-9)6-15-5-3-8(16)12-10(15)17/h3,5,11H,2,4,6H2,1H3,(H,12,16,17)
InChIKeyCRBWCATZOQNHBS-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.26
Rot. Bonds5

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

1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione (PubChem CID 62209070) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
PubChem CID62209070
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
SMILESCCCNc1snnc1Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H13N5O2S/c1-2-4-11-9-7(13-14-18-9)6-15-5-3-8(16)12-10(15)17/h3,5,11H,2,4,6H2,1H3,(H,12,16,17)
InChIKeyCRBWCATZOQNHBS-UHFFFAOYSA-N
XLogP0.26
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[5-(propylamino)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
1-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione
CID 55044679
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-(Ethylamino)thiadiazol-4-yl]methyl]-3-methylpyridin-2-one
CID 55159380
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
6-Methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridin-2-one
CID 62193449

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione (CID 62209070) is 1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione is CCCNc1snnc1Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is CRBWCATZOQNHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-2-4-11-9-7(13-14-18-9)6-15-5-3-8(16)12-10(15)17/h3,5,11H,2,4,6H2,1H3,(H,12,16,17).
What are the key properties of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione?
1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 267.31 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 62209070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).