4-[[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]morpholine

C24H28N6O — CID 132510851

IUPAC4-[[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]morpholine
SMILESc1cncc(-c2cc(N3CCC(CN4CCOCC4)CC3)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C24H28N6O/c1-2-21(17-26-7-1)22-16-23(28-24(27-22)20-3-8-25-9-4-20)30-10-5-19(6-11-30)18-29-12-14-31-15-13-29/h1-4,7-9,16-17,19H,5-6,10-15,18H2
InChIKeyPOHPRNJDTUSRTJ-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.15
Rot. Bonds5

About 4-[[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]morpholine

4-[[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]morpholine (PubChem CID 132510851) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-[[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]morpholine
PubChem CID132510851
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name4-[[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]morpholine
SMILESc1cncc(-c2cc(N3CCC(CN4CCOCC4)CC3)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C24H28N6O/c1-2-21(17-26-7-1)22-16-23(28-24(27-22)20-3-8-25-9-4-20)30-10-5-19(6-11-30)18-29-12-14-31-15-13-29/h1-4,7-9,16-17,19H,5-6,10-15,18H2
InChIKeyPOHPRNJDTUSRTJ-UHFFFAOYSA-N
XLogP3.15
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]morpholine (CID 132510851) is 4-[[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]morpholine is c1cncc(-c2cc(N3CCC(CN4CCOCC4)CC3)nc(-c3ccncc3)n2)c1.
What is the InChIKey of 4-[[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]morpholine?
The InChIKey is POHPRNJDTUSRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-2-21(17-26-7-1)22-16-23(28-24(27-22)20-3-8-25-9-4-20)30-10-5-19(6-11-30)18-29-12-14-31-15-13-29/h1-4,7-9,16-17,19H,5-6,10-15,18H2.
What are the key properties of 4-[[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]morpholine?
4-[[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]morpholine has a molecular weight of 416.53 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 132510851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).