2,3,5-trimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C15H20N6S — CID 56900700

IUPAC2,3,5-trimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCSc2nccn2C)n2nc(C)c(C)c2n1
InChIInChI=1S/C15H20N6S/c1-10-9-13(21-14(18-10)11(2)12(3)19-21)16-6-8-22-15-17-5-7-20(15)4/h5,7,9,16H,6,8H2,1-4H3
InChIKeyHBRKYRIMMKKZKQ-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.59
Rot. Bonds5

About 2,3,5-trimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine

2,3,5-trimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56900700) has the molecular formula C15H20N6S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2,3,5-trimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,3,5-trimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56900700
Molecular FormulaC15H20N6S
Molecular Weight316.43 g/mol
Exact Mass316.15
IUPAC Name2,3,5-trimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCSc2nccn2C)n2nc(C)c(C)c2n1
InChIInChI=1S/C15H20N6S/c1-10-9-13(21-14(18-10)11(2)12(3)19-21)16-6-8-22-15-17-5-7-20(15)4/h5,7,9,16H,6,8H2,1-4H3
InChIKeyHBRKYRIMMKKZKQ-UHFFFAOYSA-N
XLogP2.59
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2,3,5-trimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,3,5-trimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56900700) is 2,3,5-trimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,3,5-trimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,3,5-trimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCSc2nccn2C)n2nc(C)c(C)c2n1.
What is the InChIKey of 2,3,5-trimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HBRKYRIMMKKZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6S/c1-10-9-13(21-14(18-10)11(2)12(3)19-21)16-6-8-22-15-17-5-7-20(15)4/h5,7,9,16H,6,8H2,1-4H3.
What are the key properties of 2,3,5-trimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
2,3,5-trimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 316.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56900700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).