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

C19H18N4O2 — CID 53316967

IUPAC3-(4-morpholin-4-yl-6-pyridin-3-ylpyrimidin-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3cccnc3)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H18N4O2/c24-16-5-1-3-14(11-16)19-21-17(15-4-2-6-20-13-15)12-18(22-19)23-7-9-25-10-8-23/h1-6,11-13,24H,7-10H2
InChIKeyIUNMDZQACHPODT-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.75
Rot. Bonds3

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

3-(4-morpholin-4-yl-6-pyridin-3-ylpyrimidin-2-yl)phenol (PubChem CID 53316967) 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-3-ylpyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(4-morpholin-4-yl-6-pyridin-3-ylpyrimidin-2-yl)phenol
PubChem CID53316967
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3-(4-morpholin-4-yl-6-pyridin-3-ylpyrimidin-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3cccnc3)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H18N4O2/c24-16-5-1-3-14(11-16)19-21-17(15-4-2-6-20-13-15)12-18(22-19)23-7-9-25-10-8-23/h1-6,11-13,24H,7-10H2
InChIKeyIUNMDZQACHPODT-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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Related Compounds

3-[2-Morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
CID 10405525
Pyrazolo pyrimidine, 1
CID 44232672
3-(4-Morpholinopyrido[3,2-d]pyrimidin-2-yl)phenol
CID 9879653
3-(8-Morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol
CID 9922221
3-(4-Morpholin-4-ylpyrimidin-2-yl)phenol
CID 16049456
3-(2-Morpholinopyrimidin-4-yl)phenol
CID 16049526
3-(2-morpholino-7-(pyridin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24888752
3-(2-morpholino-7-(pyridin-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24888918
3-[7-(2-Methyl-pyridin-4-yl)-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-phenol
CID 24889090
3-[7-(1-Methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-phenol
CID 24889091
3-(9-((1-benzylpiperidin-4-yl)methyl)-6-morpholino-9H-purin-2-yl)phenol
CID 25070553
3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-purin-2-yl)phenol
CID 25070554

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-yl-6-pyridin-3-ylpyrimidin-2-yl)phenol?
The IUPAC name of 3-(4-morpholin-4-yl-6-pyridin-3-ylpyrimidin-2-yl)phenol (CID 53316967) is 3-(4-morpholin-4-yl-6-pyridin-3-ylpyrimidin-2-yl)phenol.
What is the SMILES notation for 3-(4-morpholin-4-yl-6-pyridin-3-ylpyrimidin-2-yl)phenol?
The canonical SMILES for 3-(4-morpholin-4-yl-6-pyridin-3-ylpyrimidin-2-yl)phenol is Oc1cccc(-c2nc(-c3cccnc3)cc(N3CCOCC3)n2)c1.
What is the InChIKey of 3-(4-morpholin-4-yl-6-pyridin-3-ylpyrimidin-2-yl)phenol?
The InChIKey is IUNMDZQACHPODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-16-5-1-3-14(11-16)19-21-17(15-4-2-6-20-13-15)12-18(22-19)23-7-9-25-10-8-23/h1-6,11-13,24H,7-10H2.
What are the key properties of 3-(4-morpholin-4-yl-6-pyridin-3-ylpyrimidin-2-yl)phenol?
3-(4-morpholin-4-yl-6-pyridin-3-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-3-ylpyrimidin-2-yl)phenol is sourced from PubChem (CID 53316967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).