(3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone

C11H10Br2N4O2 — CID 559943

IUPAC(3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1nn2cc(Br)cnc2c1Br)N1CCOCC1
InChIInChI=1S/C11H10Br2N4O2/c12-7-5-14-10-8(13)9(15-17(10)6-7)11(18)16-1-3-19-4-2-16/h5-6H,1-4H2
InChIKeyXOGHKNMSAVSEOO-UHFFFAOYSA-N
MW390.04 g/mol
LogP1.73
Rot. Bonds1

About (3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone

(3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone (PubChem CID 559943) has the molecular formula C11H10Br2N4O2 and a molecular weight of 390.04 g/mol. Its IUPAC name is (3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
PubChem CID559943
Molecular FormulaC11H10Br2N4O2
Molecular Weight390.04 g/mol
Exact Mass387.92
IUPAC Name(3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1nn2cc(Br)cnc2c1Br)N1CCOCC1
InChIInChI=1S/C11H10Br2N4O2/c12-7-5-14-10-8(13)9(15-17(10)6-7)11(18)16-1-3-19-4-2-16/h5-6H,1-4H2
InChIKeyXOGHKNMSAVSEOO-UHFFFAOYSA-N
XLogP1.73
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.04
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
CID 689338
3,6-dibromo-N-butylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3094294
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
CID 2842282
3,6-dibromo-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1733312
6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2237560
(6-Bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
CID 840787
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)(2-ethylpiperidin-1-yl)methanone
CID 2981648
3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 99943078
3-bromo-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 118679605
N-cyclopropyl-6-fluoro-3-(methylidene-lambda3-bromanyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 145003454
3,6-Dibromo-2-(1-piperidinylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 4258733
3-Chloro-6-methyl-2-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyrazolo[1,5-a]pyrimidine
CID 56865116

Frequently Asked Questions

What is the IUPAC name of (3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone (CID 559943) is (3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone is O=C(c1nn2cc(Br)cnc2c1Br)N1CCOCC1.
What is the InChIKey of (3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is XOGHKNMSAVSEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N4O2/c12-7-5-14-10-8(13)9(15-17(10)6-7)11(18)16-1-3-19-4-2-16/h5-6H,1-4H2.
What are the key properties of (3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone?
(3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 390.04 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 559943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).