4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide

C18H21BrN6O — CID 118747455

IUPAC4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide
SMILESBr.Cn1nccc1CN1CCOC(c2cccc(-c3cncnc3)n2)C1
InChIInChI=1S/C18H20N6O.BrH/c1-23-15(5-6-21-23)11-24-7-8-25-18(12-24)17-4-2-3-16(22-17)14-9-19-13-20-10-14;/h2-6,9-10,13,18H,7-8,11-12H2,1H3;1H
InChIKeyFUABNBHATINTCG-UHFFFAOYSA-N
MW417.31 g/mol
LogP2.42
Rot. Bonds4

About 4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide

4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide (PubChem CID 118747455) has the molecular formula C18H21BrN6O and a molecular weight of 417.31 g/mol. Its IUPAC name is 4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide.

Molecular Properties

Compound Name4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide
PubChem CID118747455
Molecular FormulaC18H21BrN6O
Molecular Weight417.31 g/mol
Exact Mass416.10
IUPAC Name4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide
SMILESBr.Cn1nccc1CN1CCOC(c2cccc(-c3cncnc3)n2)C1
InChIInChI=1S/C18H20N6O.BrH/c1-23-15(5-6-21-23)11-24-7-8-25-18(12-24)17-4-2-3-16(22-17)14-9-19-13-20-10-14;/h2-6,9-10,13,18H,7-8,11-12H2,1H3;1H
InChIKeyFUABNBHATINTCG-UHFFFAOYSA-N
XLogP2.42
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide?
The IUPAC name of 4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide (CID 118747455) is 4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide.
What is the SMILES notation for 4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide?
The canonical SMILES for 4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide is Br.Cn1nccc1CN1CCOC(c2cccc(-c3cncnc3)n2)C1.
What is the InChIKey of 4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide?
The InChIKey is FUABNBHATINTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O.BrH/c1-23-15(5-6-21-23)11-24-7-8-25-18(12-24)17-4-2-3-16(22-17)14-9-19-13-20-10-14;/h2-6,9-10,13,18H,7-8,11-12H2,1H3;1H.
What are the key properties of 4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide?
4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide has a molecular weight of 417.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide is sourced from PubChem (CID 118747455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).