3-(4-morpholin-4-yl-6-pyridin-2-ylpyrimidin-2-yl)phenol

C19H18N4O2 — CID 51346893

IUPAC3-(4-morpholin-4-yl-6-pyridin-2-ylpyrimidin-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3ccccn3)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H18N4O2/c24-15-5-3-4-14(12-15)19-21-17(16-6-1-2-7-20-16)13-18(22-19)23-8-10-25-11-9-23/h1-7,12-13,24H,8-11H2
InChIKeyKQQKNWZMZNQWRK-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.75
Rot. Bonds3

About 3-(4-morpholin-4-yl-6-pyridin-2-ylpyrimidin-2-yl)phenol

3-(4-morpholin-4-yl-6-pyridin-2-ylpyrimidin-2-yl)phenol (PubChem CID 51346893) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-(4-morpholin-4-yl-6-pyridin-2-ylpyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(4-morpholin-4-yl-6-pyridin-2-ylpyrimidin-2-yl)phenol
PubChem CID51346893
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3-(4-morpholin-4-yl-6-pyridin-2-ylpyrimidin-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3ccccn3)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H18N4O2/c24-15-5-3-4-14(12-15)19-21-17(16-6-1-2-7-20-16)13-18(22-19)23-8-10-25-11-9-23/h1-7,12-13,24H,8-11H2
InChIKeyKQQKNWZMZNQWRK-UHFFFAOYSA-N
XLogP2.75
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-yl-6-pyridin-2-ylpyrimidin-2-yl)phenol?
The IUPAC name of 3-(4-morpholin-4-yl-6-pyridin-2-ylpyrimidin-2-yl)phenol (CID 51346893) is 3-(4-morpholin-4-yl-6-pyridin-2-ylpyrimidin-2-yl)phenol.
What is the SMILES notation for 3-(4-morpholin-4-yl-6-pyridin-2-ylpyrimidin-2-yl)phenol?
The canonical SMILES for 3-(4-morpholin-4-yl-6-pyridin-2-ylpyrimidin-2-yl)phenol is Oc1cccc(-c2nc(-c3ccccn3)cc(N3CCOCC3)n2)c1.
What is the InChIKey of 3-(4-morpholin-4-yl-6-pyridin-2-ylpyrimidin-2-yl)phenol?
The InChIKey is KQQKNWZMZNQWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-15-5-3-4-14(12-15)19-21-17(16-6-1-2-7-20-16)13-18(22-19)23-8-10-25-11-9-23/h1-7,12-13,24H,8-11H2.
What are the key properties of 3-(4-morpholin-4-yl-6-pyridin-2-ylpyrimidin-2-yl)phenol?
3-(4-morpholin-4-yl-6-pyridin-2-ylpyrimidin-2-yl)phenol has a molecular weight of 334.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-yl-6-pyridin-2-ylpyrimidin-2-yl)phenol is sourced from PubChem (CID 51346893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).