N-(2-prop-2-enoxypropyl)pyrazolo[1,5-a]pyrimidin-5-amine

C12H16N4O — CID 114264835

IUPACN-(2-prop-2-enoxypropyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESC=CCOC(C)CNc1ccn2nccc2n1
InChIInChI=1S/C12H16N4O/c1-3-8-17-10(2)9-13-11-5-7-16-12(15-11)4-6-14-16/h3-7,10H,1,8-9H2,2H3,(H,13,15)
InChIKeyAZHPFHCPOAVRKK-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.73
Rot. Bonds6

About N-(2-prop-2-enoxypropyl)pyrazolo[1,5-a]pyrimidin-5-amine

N-(2-prop-2-enoxypropyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 114264835) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(2-prop-2-enoxypropyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(2-prop-2-enoxypropyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID114264835
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(2-prop-2-enoxypropyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESC=CCOC(C)CNc1ccn2nccc2n1
InChIInChI=1S/C12H16N4O/c1-3-8-17-10(2)9-13-11-5-7-16-12(15-11)4-6-14-16/h3-7,10H,1,8-9H2,2H3,(H,13,15)
InChIKeyAZHPFHCPOAVRKK-UHFFFAOYSA-N
XLogP1.73
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enoxypropyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(2-prop-2-enoxypropyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 114264835) is N-(2-prop-2-enoxypropyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(2-prop-2-enoxypropyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(2-prop-2-enoxypropyl)pyrazolo[1,5-a]pyrimidin-5-amine is C=CCOC(C)CNc1ccn2nccc2n1.
What is the InChIKey of N-(2-prop-2-enoxypropyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is AZHPFHCPOAVRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-8-17-10(2)9-13-11-5-7-16-12(15-11)4-6-14-16/h3-7,10H,1,8-9H2,2H3,(H,13,15).
What are the key properties of N-(2-prop-2-enoxypropyl)pyrazolo[1,5-a]pyrimidin-5-amine?
N-(2-prop-2-enoxypropyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 232.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enoxypropyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 114264835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).