(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone

C11H11BrN4O2 — CID 689338

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2ncc(Br)cn2n1)N1CCOCC1
InChIInChI=1S/C11H11BrN4O2/c12-8-6-13-10-5-9(14-16(10)7-8)11(17)15-1-3-18-4-2-15/h5-7H,1-4H2
InChIKeyPZYUJIUSALQNPF-UHFFFAOYSA-N
MW311.14 g/mol
LogP0.96
Rot. Bonds1

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone (PubChem CID 689338) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
PubChem CID689338
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2ncc(Br)cn2n1)N1CCOCC1
InChIInChI=1S/C11H11BrN4O2/c12-8-6-13-10-5-9(14-16(10)7-8)11(17)15-1-3-18-4-2-15/h5-7H,1-4H2
InChIKeyPZYUJIUSALQNPF-UHFFFAOYSA-N
XLogP0.96
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone (CID 689338) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone is O=C(c1cc2ncc(Br)cn2n1)N1CCOCC1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is PZYUJIUSALQNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c12-8-6-13-10-5-9(14-16(10)7-8)11(17)15-1-3-18-4-2-15/h5-7H,1-4H2.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 311.14 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 689338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).