N'-[3-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-N-propylpropane-1,3-diamine

C18H24N6 — CID 129089666

IUPACN'-[3-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-N-propylpropane-1,3-diamine
SMILESCCCNCCCNc1cccc(-c2cnn3ccc(N)nc23)c1
InChIInChI=1S/C18H24N6/c1-2-8-20-9-4-10-21-15-6-3-5-14(12-15)16-13-22-24-11-7-17(19)23-18(16)24/h3,5-7,11-13,20-21H,2,4,8-10H2,1H3,(H2,19,23)
InChIKeyQXLKVQYVQSIWEB-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.78
Rot. Bonds8

About N'-[3-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-N-propylpropane-1,3-diamine

N'-[3-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-N-propylpropane-1,3-diamine (PubChem CID 129089666) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is N'-[3-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-N-propylpropane-1,3-diamine
PubChem CID129089666
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC NameN'-[3-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-N-propylpropane-1,3-diamine
SMILESCCCNCCCNc1cccc(-c2cnn3ccc(N)nc23)c1
InChIInChI=1S/C18H24N6/c1-2-8-20-9-4-10-21-15-6-3-5-14(12-15)16-13-22-24-11-7-17(19)23-18(16)24/h3,5-7,11-13,20-21H,2,4,8-10H2,1H3,(H2,19,23)
InChIKeyQXLKVQYVQSIWEB-UHFFFAOYSA-N
XLogP2.78
TPSA80.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'-[3-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-N-propylpropane-1,3-diamine?
The IUPAC name of N'-[3-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-N-propylpropane-1,3-diamine (CID 129089666) is N'-[3-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-N-propylpropane-1,3-diamine is CCCNCCCNc1cccc(-c2cnn3ccc(N)nc23)c1.
What is the InChIKey of N'-[3-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-N-propylpropane-1,3-diamine?
The InChIKey is QXLKVQYVQSIWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-2-8-20-9-4-10-21-15-6-3-5-14(12-15)16-13-22-24-11-7-17(19)23-18(16)24/h3,5-7,11-13,20-21H,2,4,8-10H2,1H3,(H2,19,23).
What are the key properties of N'-[3-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-N-propylpropane-1,3-diamine?
N'-[3-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-N-propylpropane-1,3-diamine has a molecular weight of 324.43 g/mol, XLogP of 2.78, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-N-propylpropane-1,3-diamine is sourced from PubChem (CID 129089666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).