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

C22H25N7O — CID 155563634

IUPAC4-[1-(6-pyridin-3-yl-2-pyrimidin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine
SMILESc1cncc(-c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccncn3)n2)c1
InChIInChI=1S/C22H25N7O/c1-2-17(15-23-6-1)20-14-21(27-22(26-20)19-3-7-24-16-25-19)29-8-4-18(5-9-29)28-10-12-30-13-11-28/h1-3,6-7,14-16,18H,4-5,8-13H2
InChIKeyGXVGXVXDUQZRAN-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.30
Rot. Bonds4

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

4-[1-(6-pyridin-3-yl-2-pyrimidin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine (PubChem CID 155563634) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[1-(6-pyridin-3-yl-2-pyrimidin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(6-pyridin-3-yl-2-pyrimidin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine
PubChem CID155563634
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name4-[1-(6-pyridin-3-yl-2-pyrimidin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine
SMILESc1cncc(-c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccncn3)n2)c1
InChIInChI=1S/C22H25N7O/c1-2-17(15-23-6-1)20-14-21(27-22(26-20)19-3-7-24-16-25-19)29-8-4-18(5-9-29)28-10-12-30-13-11-28/h1-3,6-7,14-16,18H,4-5,8-13H2
InChIKeyGXVGXVXDUQZRAN-UHFFFAOYSA-N
XLogP2.30
TPSA80.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-pyridin-3-yl-2-pyrimidin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-(6-pyridin-3-yl-2-pyrimidin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine (CID 155563634) is 4-[1-(6-pyridin-3-yl-2-pyrimidin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(6-pyridin-3-yl-2-pyrimidin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(6-pyridin-3-yl-2-pyrimidin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine is c1cncc(-c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccncn3)n2)c1.
What is the InChIKey of 4-[1-(6-pyridin-3-yl-2-pyrimidin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine?
The InChIKey is GXVGXVXDUQZRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-2-17(15-23-6-1)20-14-21(27-22(26-20)19-3-7-24-16-25-19)29-8-4-18(5-9-29)28-10-12-30-13-11-28/h1-3,6-7,14-16,18H,4-5,8-13H2.
What are the key properties of 4-[1-(6-pyridin-3-yl-2-pyrimidin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine?
4-[1-(6-pyridin-3-yl-2-pyrimidin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine has a molecular weight of 403.49 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-pyridin-3-yl-2-pyrimidin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine is sourced from PubChem (CID 155563634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).