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

C18H20N6O — CID 118747456

IUPAC4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine
SMILESCn1nccc1CN1CCOC(c2cccc(-c3cncnc3)n2)C1
InChIInChI=1S/C18H20N6O/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
InChIKeyNUBUHAGYIWGCET-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.85
Rot. Bonds4

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

4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine (PubChem CID 118747456) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine.

Molecular Properties

Compound Name4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine
PubChem CID118747456
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine
SMILESCn1nccc1CN1CCOC(c2cccc(-c3cncnc3)n2)C1
InChIInChI=1S/C18H20N6O/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
InChIKeyNUBUHAGYIWGCET-UHFFFAOYSA-N
XLogP1.85
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.85
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?
The IUPAC name of 4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine (CID 118747456) is 4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine.
What is the SMILES notation for 4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine?
The canonical SMILES for 4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine is Cn1nccc1CN1CCOC(c2cccc(-c3cncnc3)n2)C1.
What is the InChIKey of 4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine?
The InChIKey is NUBUHAGYIWGCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/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.
What are the key properties of 4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine?
4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine has a molecular weight of 336.40 g/mol, XLogP of 1.85, 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 is sourced from PubChem (CID 118747456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).