N-(2-ethylsulfanylethyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

C13H20N4S — CID 56883514

IUPACN-(2-ethylsulfanylethyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCSCCNc1cc(C)nc2c(C)c(C)nn12
InChIInChI=1S/C13H20N4S/c1-5-18-7-6-14-12-8-9(2)15-13-10(3)11(4)16-17(12)13/h8,14H,5-7H2,1-4H3
InChIKeyGGZXRRMQQRZKTG-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.82
Rot. Bonds5

About N-(2-ethylsulfanylethyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

N-(2-ethylsulfanylethyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56883514) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56883514
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-(2-ethylsulfanylethyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCSCCNc1cc(C)nc2c(C)c(C)nn12
InChIInChI=1S/C13H20N4S/c1-5-18-7-6-14-12-8-9(2)15-13-10(3)11(4)16-17(12)13/h8,14H,5-7H2,1-4H3
InChIKeyGGZXRRMQQRZKTG-UHFFFAOYSA-N
XLogP2.82
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2-ethylsulfanylethyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56883514) is N-(2-ethylsulfanylethyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2-ethylsulfanylethyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine is CCSCCNc1cc(C)nc2c(C)c(C)nn12.
What is the InChIKey of N-(2-ethylsulfanylethyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GGZXRRMQQRZKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-5-18-7-6-14-12-8-9(2)15-13-10(3)11(4)16-17(12)13/h8,14H,5-7H2,1-4H3.
What are the key properties of N-(2-ethylsulfanylethyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(2-ethylsulfanylethyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 264.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56883514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).