3-(4-aminopyrimidin-5-yl)-1,2,4-thiadiazol-5-amine

C6H6N6S — CID 173434159

IUPAC3-(4-aminopyrimidin-5-yl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2cncnc2N)ns1
InChIInChI=1S/C6H6N6S/c7-4-3(1-9-2-10-4)5-11-6(8)13-12-5/h1-2H,(H2,7,9,10)(H2,8,11,12)
InChIKeyITUHTDYUXDNNGX-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.16
Rot. Bonds1

About 3-(4-aminopyrimidin-5-yl)-1,2,4-thiadiazol-5-amine

3-(4-aminopyrimidin-5-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 173434159) has the molecular formula C6H6N6S and a molecular weight of 194.22 g/mol. Its IUPAC name is 3-(4-aminopyrimidin-5-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(4-aminopyrimidin-5-yl)-1,2,4-thiadiazol-5-amine
PubChem CID173434159
Molecular FormulaC6H6N6S
Molecular Weight194.22 g/mol
Exact Mass194.04
IUPAC Name3-(4-aminopyrimidin-5-yl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2cncnc2N)ns1
InChIInChI=1S/C6H6N6S/c7-4-3(1-9-2-10-4)5-11-6(8)13-12-5/h1-2H,(H2,7,9,10)(H2,8,11,12)
InChIKeyITUHTDYUXDNNGX-UHFFFAOYSA-N
XLogP0.16
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-Methyl-5-({[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio}methyl)-4-pyrimidinamine
CID 2973713
4-Amino-2-methylpyrimidine-5-carbothioamide
CID 4034176
4-Aminopyrimidine-5-carbothioamide
CID 2740316
3-(Pyrimidin-2-yl)-1,2,4-thiadiazol-5-amine
CID 21688994
3-(2-methylpropyl)-N-[(5-methylpyrimidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 122154516
N-(4-amino-5-cyanopyrimidin-2-yl)thiourea
CID 117588697
Pyrimido[4,5-d]pyrimidine-thione
CID 129855410
5-Fluoro-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 130593825
4-aminopyrimidine-5-carbothioamide Hydrate
CID 2740315
2,4-Diamino-5-pyrimidinecarbothioamide
CID 12831167
4-Amino-2-methylthio-5-pyrimidinecarbothioamide
CID 12831168
3-pyrimidin-5-yl-2H-1,2,4-thiadiazole-5-thione
CID 54070204

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopyrimidin-5-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(4-aminopyrimidin-5-yl)-1,2,4-thiadiazol-5-amine (CID 173434159) is 3-(4-aminopyrimidin-5-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(4-aminopyrimidin-5-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(4-aminopyrimidin-5-yl)-1,2,4-thiadiazol-5-amine is Nc1nc(-c2cncnc2N)ns1.
What is the InChIKey of 3-(4-aminopyrimidin-5-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ITUHTDYUXDNNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6S/c7-4-3(1-9-2-10-4)5-11-6(8)13-12-5/h1-2H,(H2,7,9,10)(H2,8,11,12).
What are the key properties of 3-(4-aminopyrimidin-5-yl)-1,2,4-thiadiazol-5-amine?
3-(4-aminopyrimidin-5-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 194.22 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopyrimidin-5-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 173434159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).