4-[6-(4-phenylpyrimidin-2-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]morpholine

C24H22N6O2 — CID 162379157

IUPAC4-[6-(4-phenylpyrimidin-2-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]morpholine
SMILESc1ccc(-c2ccnc(-c3cc(N4CCOCC4)nc(OCc4ccncc4)n3)n2)cc1
InChIInChI=1S/C24H22N6O2/c1-2-4-19(5-3-1)20-8-11-26-23(27-20)21-16-22(30-12-14-31-15-13-30)29-24(28-21)32-17-18-6-9-25-10-7-18/h1-11,16H,12-15,17H2
InChIKeySFUFKLMANWQRQD-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.41
Rot. Bonds6

About 4-[6-(4-phenylpyrimidin-2-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]morpholine

4-[6-(4-phenylpyrimidin-2-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]morpholine (PubChem CID 162379157) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 4-[6-(4-phenylpyrimidin-2-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(4-phenylpyrimidin-2-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]morpholine
PubChem CID162379157
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name4-[6-(4-phenylpyrimidin-2-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]morpholine
SMILESc1ccc(-c2ccnc(-c3cc(N4CCOCC4)nc(OCc4ccncc4)n3)n2)cc1
InChIInChI=1S/C24H22N6O2/c1-2-4-19(5-3-1)20-8-11-26-23(27-20)21-16-22(30-12-14-31-15-13-30)29-24(28-21)32-17-18-6-9-25-10-7-18/h1-11,16H,12-15,17H2
InChIKeySFUFKLMANWQRQD-UHFFFAOYSA-N
XLogP3.41
TPSA86.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-phenylpyrimidin-2-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(4-phenylpyrimidin-2-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]morpholine (CID 162379157) is 4-[6-(4-phenylpyrimidin-2-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(4-phenylpyrimidin-2-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(4-phenylpyrimidin-2-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]morpholine is c1ccc(-c2ccnc(-c3cc(N4CCOCC4)nc(OCc4ccncc4)n3)n2)cc1.
What is the InChIKey of 4-[6-(4-phenylpyrimidin-2-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]morpholine?
The InChIKey is SFUFKLMANWQRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-2-4-19(5-3-1)20-8-11-26-23(27-20)21-16-22(30-12-14-31-15-13-30)29-24(28-21)32-17-18-6-9-25-10-7-18/h1-11,16H,12-15,17H2.
What are the key properties of 4-[6-(4-phenylpyrimidin-2-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]morpholine?
4-[6-(4-phenylpyrimidin-2-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]morpholine has a molecular weight of 426.48 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-phenylpyrimidin-2-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 162379157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).