N-[(3-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine

C11H15N5 — CID 115373284

IUPACN-[(3-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESNC1CC(CNc2ccn3nccc3n2)C1
InChIInChI=1S/C11H15N5/c12-9-5-8(6-9)7-13-10-2-4-16-11(15-10)1-3-14-16/h1-4,8-9H,5-7,12H2,(H,13,15)
InChIKeyGUVYZMAEMLCYBS-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.88
Rot. Bonds3

About N-[(3-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine

N-[(3-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 115373284) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID115373284
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-[(3-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESNC1CC(CNc2ccn3nccc3n2)C1
InChIInChI=1S/C11H15N5/c12-9-5-8(6-9)7-13-10-2-4-16-11(15-10)1-3-14-16/h1-4,8-9H,5-7,12H2,(H,13,15)
InChIKeyGUVYZMAEMLCYBS-UHFFFAOYSA-N
XLogP0.88
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 115373284) is N-[(3-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine is NC1CC(CNc2ccn3nccc3n2)C1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is GUVYZMAEMLCYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c12-9-5-8(6-9)7-13-10-2-4-16-11(15-10)1-3-14-16/h1-4,8-9H,5-7,12H2,(H,13,15).
What are the key properties of N-[(3-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-[(3-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 217.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 115373284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).