3-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-amine

C10H12N4O2S — CID 117103385

IUPAC3-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-amine
SMILESNc1cnc2c(C3CCS(=O)(=O)C3)cnn2c1
InChIInChI=1S/C10H12N4O2S/c11-8-3-12-10-9(4-13-14(10)5-8)7-1-2-17(15,16)6-7/h3-5,7H,1-2,6,11H2
InChIKeyZTJPQZUCPAICRO-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.21
Rot. Bonds1

About 3-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-amine

3-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-amine (PubChem CID 117103385) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-amine
PubChem CID117103385
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name3-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-amine
SMILESNc1cnc2c(C3CCS(=O)(=O)C3)cnn2c1
InChIInChI=1S/C10H12N4O2S/c11-8-3-12-10-9(4-13-14(10)5-8)7-1-2-17(15,16)6-7/h3-5,7H,1-2,6,11H2
InChIKeyZTJPQZUCPAICRO-UHFFFAOYSA-N
XLogP0.21
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidin-6-amine
CID 117103388
5-(1,1-dioxothiolan-3-yl)pyridin-3-amine
CID 115027948
2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine
CID 117131128
3-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine
CID 117103401
3-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-6-amine
CID 117103432
4-(1,1-dioxothiolan-3-yl)-3-fluorobenzene-1,2-diamine
CID 175294684
1-[(1,1-dioxothietan-3-yl)methyl]pyrazol-4-amine
CID 84670121
2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117133515
6-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 84683517
6-(1,1-dioxothian-3-yl)pyridazin-4-amine
CID 117105556
3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141245
3-(2-chloro-1H-imidazol-5-yl)thiolane 1,1-dioxide
CID 117259808

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 3-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-amine (CID 117103385) is 3-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 3-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 3-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-amine is Nc1cnc2c(C3CCS(=O)(=O)C3)cnn2c1.
What is the InChIKey of 3-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-amine?
The InChIKey is ZTJPQZUCPAICRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c11-8-3-12-10-9(4-13-14(10)5-8)7-1-2-17(15,16)6-7/h3-5,7H,1-2,6,11H2.
What are the key properties of 3-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-amine?
3-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-amine has a molecular weight of 252.30 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 117103385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).