3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol

C16H19N3O2 — CID 123967937

IUPAC3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol
SMILESCc1nc(N2CCOCC2)nc(-c2cccc(O)c2)c1C
InChIInChI=1S/C16H19N3O2/c1-11-12(2)17-16(19-6-8-21-9-7-19)18-15(11)13-4-3-5-14(20)10-13/h3-5,10,20H,6-9H2,1-2H3
InChIKeyMTZWLZMPFDHQBG-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.30
Rot. Bonds2

About 3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol

3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol (PubChem CID 123967937) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol.

Molecular Properties

Compound Name3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol
PubChem CID123967937
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol
SMILESCc1nc(N2CCOCC2)nc(-c2cccc(O)c2)c1C
InChIInChI=1S/C16H19N3O2/c1-11-12(2)17-16(19-6-8-21-9-7-19)18-15(11)13-4-3-5-14(20)10-13/h3-5,10,20H,6-9H2,1-2H3
InChIKeyMTZWLZMPFDHQBG-UHFFFAOYSA-N
XLogP2.30
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24890625
3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
CID 123635804
4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbaldehyde
CID 24888238
8-(4-acetylpiperazin-1-yl)-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 46869633
3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 44608912
3-[2-morpholin-4-yl-7-(1,3-thiazol-2-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
CID 24889765
3-[9-[2-(diethylamino)ethyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 25256551
3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol
CID 25256550
3-(4-morpholin-4-ylphenyl)phenol
CID 46887508
3-(2-morpholin-4-ylphenyl)phenol
CID 173316588
N-[4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbonyl]phenyl]acetamide
CID 59244869
3-[7-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
CID 59244721

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol?
The IUPAC name of 3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol (CID 123967937) is 3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol.
What is the SMILES notation for 3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol?
The canonical SMILES for 3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol is Cc1nc(N2CCOCC2)nc(-c2cccc(O)c2)c1C.
What is the InChIKey of 3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol?
The InChIKey is MTZWLZMPFDHQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-12(2)17-16(19-6-8-21-9-7-19)18-15(11)13-4-3-5-14(20)10-13/h3-5,10,20H,6-9H2,1-2H3.
What are the key properties of 3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol?
3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol has a molecular weight of 285.35 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol is sourced from PubChem (CID 123967937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).