N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]hex-5-yn-1-amine

C14H18N4 — CID 103757618

IUPACN-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]hex-5-yn-1-amine
SMILESC#CCCCCNCc1cnc2cc(C)nn2c1
InChIInChI=1S/C14H18N4/c1-3-4-5-6-7-15-9-13-10-16-14-8-12(2)17-18(14)11-13/h1,8,10-11,15H,4-7,9H2,2H3
InChIKeyAZVKAJAOMAZWMG-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.93
Rot. Bonds6

About N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]hex-5-yn-1-amine

N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]hex-5-yn-1-amine (PubChem CID 103757618) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]hex-5-yn-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]hex-5-yn-1-amine
PubChem CID103757618
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]hex-5-yn-1-amine
SMILESC#CCCCCNCc1cnc2cc(C)nn2c1
InChIInChI=1S/C14H18N4/c1-3-4-5-6-7-15-9-13-10-16-14-8-12(2)17-18(14)11-13/h1,8,10-11,15H,4-7,9H2,2H3
InChIKeyAZVKAJAOMAZWMG-UHFFFAOYSA-N
XLogP1.93
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]hex-5-yn-1-amine?
The IUPAC name of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]hex-5-yn-1-amine (CID 103757618) is N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]hex-5-yn-1-amine.
What is the SMILES notation for N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]hex-5-yn-1-amine?
The canonical SMILES for N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]hex-5-yn-1-amine is C#CCCCCNCc1cnc2cc(C)nn2c1.
What is the InChIKey of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]hex-5-yn-1-amine?
The InChIKey is AZVKAJAOMAZWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-4-5-6-7-15-9-13-10-16-14-8-12(2)17-18(14)11-13/h1,8,10-11,15H,4-7,9H2,2H3.
What are the key properties of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]hex-5-yn-1-amine?
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]hex-5-yn-1-amine has a molecular weight of 242.33 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]hex-5-yn-1-amine is sourced from PubChem (CID 103757618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).