2-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)-4-methylmorpholine

C11H13ClN4O — CID 89365635

IUPAC2-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)-4-methylmorpholine
SMILESCN1CCOC(c2cc(Cl)n3nccc3n2)C1
InChIInChI=1S/C11H13ClN4O/c1-15-4-5-17-9(7-15)8-6-10(12)16-11(14-8)2-3-13-16/h2-3,6,9H,4-5,7H2,1H3
InChIKeyKLDPORSKHCLMFT-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.39
Rot. Bonds1

About 2-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)-4-methylmorpholine

2-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)-4-methylmorpholine (PubChem CID 89365635) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)-4-methylmorpholine.

Molecular Properties

Compound Name2-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)-4-methylmorpholine
PubChem CID89365635
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name2-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)-4-methylmorpholine
SMILESCN1CCOC(c2cc(Cl)n3nccc3n2)C1
InChIInChI=1S/C11H13ClN4O/c1-15-4-5-17-9(7-15)8-6-10(12)16-11(14-8)2-3-13-16/h2-3,6,9H,4-5,7H2,1H3
InChIKeyKLDPORSKHCLMFT-UHFFFAOYSA-N
XLogP1.39
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)-4-methylmorpholine?
The IUPAC name of 2-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)-4-methylmorpholine (CID 89365635) is 2-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)-4-methylmorpholine.
What is the SMILES notation for 2-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)-4-methylmorpholine?
The canonical SMILES for 2-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)-4-methylmorpholine is CN1CCOC(c2cc(Cl)n3nccc3n2)C1.
What is the InChIKey of 2-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)-4-methylmorpholine?
The InChIKey is KLDPORSKHCLMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-15-4-5-17-9(7-15)8-6-10(12)16-11(14-8)2-3-13-16/h2-3,6,9H,4-5,7H2,1H3.
What are the key properties of 2-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)-4-methylmorpholine?
2-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)-4-methylmorpholine has a molecular weight of 252.70 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)-4-methylmorpholine is sourced from PubChem (CID 89365635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).