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

C14H18N6OS — CID 56894585

IUPAC5-(methoxymethyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCCSc2nccn2C)n2nccc2n1
InChIInChI=1S/C14H18N6OS/c1-19-7-5-16-14(19)22-8-6-15-13-9-11(10-21-2)18-12-3-4-17-20(12)13/h3-5,7,9,15H,6,8,10H2,1-2H3
InChIKeyBORPFRLXWSQTII-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.81
Rot. Bonds7

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

5-(methoxymethyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56894585) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56894585
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name5-(methoxymethyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCCSc2nccn2C)n2nccc2n1
InChIInChI=1S/C14H18N6OS/c1-19-7-5-16-14(19)22-8-6-15-13-9-11(10-21-2)18-12-3-4-17-20(12)13/h3-5,7,9,15H,6,8,10H2,1-2H3
InChIKeyBORPFRLXWSQTII-UHFFFAOYSA-N
XLogP1.81
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 5-(methoxymethyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(methoxymethyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56894585) is 5-(methoxymethyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(methoxymethyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(methoxymethyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine is COCc1cc(NCCSc2nccn2C)n2nccc2n1.
What is the InChIKey of 5-(methoxymethyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BORPFRLXWSQTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-19-7-5-16-14(19)22-8-6-15-13-9-11(10-21-2)18-12-3-4-17-20(12)13/h3-5,7,9,15H,6,8,10H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-(methoxymethyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 318.41 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56894585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).