5-(aminomethyl)-7-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine

C14H15N5S — CID 130451857

IUPAC5-(aminomethyl)-7-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(CN)nc2c(Sc3ccccc3)c(N)nn12
InChIInChI=1S/C14H15N5S/c1-9-7-10(8-15)17-14-12(13(16)18-19(9)14)20-11-5-3-2-4-6-11/h2-7H,8,15H2,1H3,(H2,16,18)
InChIKeyHEWORRVGVAPVFU-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.23
Rot. Bonds3

About 5-(aminomethyl)-7-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine

5-(aminomethyl)-7-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 130451857) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 5-(aminomethyl)-7-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-7-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID130451857
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name5-(aminomethyl)-7-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(CN)nc2c(Sc3ccccc3)c(N)nn12
InChIInChI=1S/C14H15N5S/c1-9-7-10(8-15)17-14-12(13(16)18-19(9)14)20-11-5-3-2-4-6-11/h2-7H,8,15H2,1H3,(H2,16,18)
InChIKeyHEWORRVGVAPVFU-UHFFFAOYSA-N
XLogP2.23
TPSA82.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-7-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-(aminomethyl)-7-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine (CID 130451857) is 5-(aminomethyl)-7-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-7-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-(aminomethyl)-7-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine is Cc1cc(CN)nc2c(Sc3ccccc3)c(N)nn12.
What is the InChIKey of 5-(aminomethyl)-7-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is HEWORRVGVAPVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-9-7-10(8-15)17-14-12(13(16)18-19(9)14)20-11-5-3-2-4-6-11/h2-7H,8,15H2,1H3,(H2,16,18).
What are the key properties of 5-(aminomethyl)-7-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine?
5-(aminomethyl)-7-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 285.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-7-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 130451857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).