N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine

C13H12N4S — CID 130451598

IUPACN-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2cccnc2c1Sc1ccccc1
InChIInChI=1S/C13H12N4S/c1-14-12-11(18-10-6-3-2-4-7-10)13-15-8-5-9-17(13)16-12/h2-9H,1H3,(H,14,16)
InChIKeyULGXLZINBHBVNJ-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.92
Rot. Bonds3

About N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine

N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 130451598) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID130451598
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2cccnc2c1Sc1ccccc1
InChIInChI=1S/C13H12N4S/c1-14-12-11(18-10-6-3-2-4-7-10)13-15-8-5-9-17(13)16-12/h2-9H,1H3,(H,14,16)
InChIKeyULGXLZINBHBVNJ-UHFFFAOYSA-N
XLogP2.92
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine (CID 130451598) is N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2cccnc2c1Sc1ccccc1.
What is the InChIKey of N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is ULGXLZINBHBVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-14-12-11(18-10-6-3-2-4-7-10)13-15-8-5-9-17(13)16-12/h2-9H,1H3,(H,14,16).
What are the key properties of N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine?
N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 256.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 130451598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).