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

C18H20N6O — CID 118747454

IUPAC4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine
SMILESCn1cc(CN2CCOC(c3cccc(-c4cncnc4)n3)C2)cn1
InChIInChI=1S/C18H20N6O/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
InChIKeyBHVLHTMOKXACHB-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.85
Rot. Bonds4

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

4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine (PubChem CID 118747454) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine.

Molecular Properties

Compound Name4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine
PubChem CID118747454
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine
SMILESCn1cc(CN2CCOC(c3cccc(-c4cncnc4)n3)C2)cn1
InChIInChI=1S/C18H20N6O/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
InChIKeyBHVLHTMOKXACHB-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-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine?
The IUPAC name of 4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine (CID 118747454) is 4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine.
What is the SMILES notation for 4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine?
The canonical SMILES for 4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine is 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?
The InChIKey is BHVLHTMOKXACHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/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.
What are the key properties of 4-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine?
4-[(1-methylpyrazol-4-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-[(1-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine is sourced from PubChem (CID 118747454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).