4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C11H12N6OS — CID 106928233

IUPAC4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCCNc1nc(Sc2ncco2)c2cn[nH]c2n1
InChIInChI=1S/C11H12N6OS/c1-2-3-12-10-15-8-7(6-14-17-8)9(16-10)19-11-13-4-5-18-11/h4-6H,2-3H2,1H3,(H2,12,14,15,16,17)
InChIKeyMYVBIDUEEVEXAT-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.31
Rot. Bonds5

About 4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 106928233) has the molecular formula C11H12N6OS and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID106928233
Molecular FormulaC11H12N6OS
Molecular Weight276.32 g/mol
Exact Mass276.08
IUPAC Name4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCCNc1nc(Sc2ncco2)c2cn[nH]c2n1
InChIInChI=1S/C11H12N6OS/c1-2-3-12-10-15-8-7(6-14-17-8)9(16-10)19-11-13-4-5-18-11/h4-6H,2-3H2,1H3,(H2,12,14,15,16,17)
InChIKeyMYVBIDUEEVEXAT-UHFFFAOYSA-N
XLogP2.31
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 106928329
4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 107765545
N-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 107784942
2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine
CID 106928299
N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 106928566
N-ethyl-5-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928372
N,5-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928309
6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 106296188
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 106928450
N-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazolin-2-amine
CID 80885003
4-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 106928226
4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 107403121

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 106928233) is 4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine is CCCNc1nc(Sc2ncco2)c2cn[nH]c2n1.
What is the InChIKey of 4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is MYVBIDUEEVEXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c1-2-3-12-10-15-8-7(6-14-17-8)9(16-10)19-11-13-4-5-18-11/h4-6H,2-3H2,1H3,(H2,12,14,15,16,17).
What are the key properties of 4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 276.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 106928233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).