5-chloro-N-(2-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine

C13H18ClN5O — CID 86654661

IUPAC5-chloro-N-(2-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(CNc1cc(Cl)nc2ccnn12)N1CCOCC1
InChIInChI=1S/C13H18ClN5O/c1-10(18-4-6-20-7-5-18)9-15-13-8-11(14)17-12-2-3-16-19(12)13/h2-3,8,10,15H,4-7,9H2,1H3
InChIKeyJLAUAQUCZGNWDC-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.52
Rot. Bonds4

About 5-chloro-N-(2-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-(2-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 86654661) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 5-chloro-N-(2-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(2-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID86654661
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name5-chloro-N-(2-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(CNc1cc(Cl)nc2ccnn12)N1CCOCC1
InChIInChI=1S/C13H18ClN5O/c1-10(18-4-6-20-7-5-18)9-15-13-8-11(14)17-12-2-3-16-19(12)13/h2-3,8,10,15H,4-7,9H2,1H3
InChIKeyJLAUAQUCZGNWDC-UHFFFAOYSA-N
XLogP1.52
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(2-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 86654661) is 5-chloro-N-(2-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(2-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(2-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(CNc1cc(Cl)nc2ccnn12)N1CCOCC1.
What is the InChIKey of 5-chloro-N-(2-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JLAUAQUCZGNWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-10(18-4-6-20-7-5-18)9-15-13-8-11(14)17-12-2-3-16-19(12)13/h2-3,8,10,15H,4-7,9H2,1H3.
What are the key properties of 5-chloro-N-(2-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(2-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 295.77 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 86654661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).