4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide

C18H21BrN6O — CID 118747453

IUPAC4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide
SMILESBr.Cn1cc(CN2CCOC(c3cccc(-c4cncnc4)n3)C2)cn1
InChIInChI=1S/C18H20N6O.BrH/c1-23-10-14(7-21-23)11-24-5-6-25-18(12-24)17-4-2-3-16(22-17)15-8-19-13-20-9-15;/h2-4,7-10,13,18H,5-6,11-12H2,1H3;1H
InChIKeySCKBSFDJUHKLNL-UHFFFAOYSA-N
MW417.31 g/mol
LogP2.42
Rot. Bonds4

About 4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide

4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide (PubChem CID 118747453) has the molecular formula C18H21BrN6O and a molecular weight of 417.31 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide.

Molecular Properties

Compound Name4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide
PubChem CID118747453
Molecular FormulaC18H21BrN6O
Molecular Weight417.31 g/mol
Exact Mass416.10
IUPAC Name4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide
SMILESBr.Cn1cc(CN2CCOC(c3cccc(-c4cncnc4)n3)C2)cn1
InChIInChI=1S/C18H20N6O.BrH/c1-23-10-14(7-21-23)11-24-5-6-25-18(12-24)17-4-2-3-16(22-17)15-8-19-13-20-9-15;/h2-4,7-10,13,18H,5-6,11-12H2,1H3;1H
InChIKeySCKBSFDJUHKLNL-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-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide?
The IUPAC name of 4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide (CID 118747453) is 4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide.
What is the SMILES notation for 4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide?
The canonical SMILES for 4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide is Br.Cn1cc(CN2CCOC(c3cccc(-c4cncnc4)n3)C2)cn1.
What is the InChIKey of 4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide?
The InChIKey is SCKBSFDJUHKLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O.BrH/c1-23-10-14(7-21-23)11-24-5-6-25-18(12-24)17-4-2-3-16(22-17)15-8-19-13-20-9-15;/h2-4,7-10,13,18H,5-6,11-12H2,1H3;1H.
What are the key properties of 4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide?
4-[(1-methylpyrazol-4-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-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine;hydrobromide is sourced from PubChem (CID 118747453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).