4-(5-benzyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidin-4-yl)morpholine

C24H27N5O2 — CID 67035554

IUPAC4-(5-benzyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
SMILESc1ccc(Cc2c(N3CCOCC3)nc(-c3ccccn3)nc2N2CCOCC2)cc1
InChIInChI=1S/C24H27N5O2/c1-2-6-19(7-3-1)18-20-23(28-10-14-30-15-11-28)26-22(21-8-4-5-9-25-21)27-24(20)29-12-16-31-17-13-29/h1-9H,10-18H2
InChIKeyFISYWANMDJNKHH-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.80
Rot. Bonds5

About 4-(5-benzyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidin-4-yl)morpholine

4-(5-benzyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidin-4-yl)morpholine (PubChem CID 67035554) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-(5-benzyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(5-benzyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
PubChem CID67035554
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name4-(5-benzyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
SMILESc1ccc(Cc2c(N3CCOCC3)nc(-c3ccccn3)nc2N2CCOCC2)cc1
InChIInChI=1S/C24H27N5O2/c1-2-6-19(7-3-1)18-20-23(28-10-14-30-15-11-28)26-22(21-8-4-5-9-25-21)27-24(20)29-12-16-31-17-13-29/h1-9H,10-18H2
InChIKeyFISYWANMDJNKHH-UHFFFAOYSA-N
XLogP2.80
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-benzyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-(5-benzyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidin-4-yl)morpholine (CID 67035554) is 4-(5-benzyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(5-benzyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(5-benzyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidin-4-yl)morpholine is c1ccc(Cc2c(N3CCOCC3)nc(-c3ccccn3)nc2N2CCOCC2)cc1.
What is the InChIKey of 4-(5-benzyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidin-4-yl)morpholine?
The InChIKey is FISYWANMDJNKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-2-6-19(7-3-1)18-20-23(28-10-14-30-15-11-28)26-22(21-8-4-5-9-25-21)27-24(20)29-12-16-31-17-13-29/h1-9H,10-18H2.
What are the key properties of 4-(5-benzyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidin-4-yl)morpholine?
4-(5-benzyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidin-4-yl)morpholine has a molecular weight of 417.51 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 67035554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).