methanamine;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine

C17H22N6S — CID 143440584

IUPACmethanamine;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN.Nc1cc(N2CCCC2)nc2c(Sc3ccccc3)cnn12
InChIInChI=1S/C16H17N5S.CH5N/c17-14-10-15(20-8-4-5-9-20)19-16-13(11-18-21(14)16)22-12-6-2-1-3-7-12;1-2/h1-3,6-7,10-11H,4-5,8-9,17H2;2H2,1H3
InChIKeyAFAUGFXBTMDCKB-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.64
Rot. Bonds3

About methanamine;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine

methanamine;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143440584) has the molecular formula C17H22N6S and a molecular weight of 342.47 g/mol. Its IUPAC name is methanamine;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Namemethanamine;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143440584
Molecular FormulaC17H22N6S
Molecular Weight342.47 g/mol
Exact Mass342.16
IUPAC Namemethanamine;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN.Nc1cc(N2CCCC2)nc2c(Sc3ccccc3)cnn12
InChIInChI=1S/C16H17N5S.CH5N/c17-14-10-15(20-8-4-5-9-20)19-16-13(11-18-21(14)16)22-12-6-2-1-3-7-12;1-2/h1-3,6-7,10-11H,4-5,8-9,17H2;2H2,1H3
InChIKeyAFAUGFXBTMDCKB-UHFFFAOYSA-N
XLogP2.64
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methanamine;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of methanamine;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 143440584) is methanamine;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for methanamine;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for methanamine;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine is CN.Nc1cc(N2CCCC2)nc2c(Sc3ccccc3)cnn12.
What is the InChIKey of methanamine;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AFAUGFXBTMDCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S.CH5N/c17-14-10-15(20-8-4-5-9-20)19-16-13(11-18-21(14)16)22-12-6-2-1-3-7-12;1-2/h1-3,6-7,10-11H,4-5,8-9,17H2;2H2,1H3.
What are the key properties of methanamine;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
methanamine;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 342.47 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143440584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).