3-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenol

C20H20N4O3 — CID 53320018

IUPAC3-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenol
SMILESOc1cccc(-c2cc(OCc3ccccn3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H20N4O3/c25-17-6-3-4-15(12-17)18-13-19(27-14-16-5-1-2-7-21-16)23-20(22-18)24-8-10-26-11-9-24/h1-7,12-13,25H,8-11,14H2
InChIKeyJSOCNTWEGGQJPW-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.66
Rot. Bonds5

About 3-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenol

3-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenol (PubChem CID 53320018) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name3-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenol
PubChem CID53320018
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenol
SMILESOc1cccc(-c2cc(OCc3ccccn3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H20N4O3/c25-17-6-3-4-15(12-17)18-13-19(27-14-16-5-1-2-7-21-16)23-20(22-18)24-8-10-26-11-9-24/h1-7,12-13,25H,8-11,14H2
InChIKeyJSOCNTWEGGQJPW-UHFFFAOYSA-N
XLogP2.66
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenol?
The IUPAC name of 3-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenol (CID 53320018) is 3-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenol.
What is the SMILES notation for 3-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenol?
The canonical SMILES for 3-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenol is Oc1cccc(-c2cc(OCc3ccccn3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 3-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenol?
The InChIKey is JSOCNTWEGGQJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-17-6-3-4-15(12-17)18-13-19(27-14-16-5-1-2-7-21-16)23-20(22-18)24-8-10-26-11-9-24/h1-7,12-13,25H,8-11,14H2.
What are the key properties of 3-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenol?
3-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenol has a molecular weight of 364.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenol is sourced from PubChem (CID 53320018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).