3-[6-(methylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenol

C15H18N4O2 — CID 52941331

IUPAC3-[6-(methylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenol
SMILESCNc1cc(-c2cccc(O)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H18N4O2/c1-16-14-10-13(11-3-2-4-12(20)9-11)17-15(18-14)19-5-7-21-8-6-19/h2-4,9-10,20H,5-8H2,1H3,(H,16,17,18)
InChIKeyVGCKRPJTFAUOTK-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.73
Rot. Bonds3

About 3-[6-(methylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenol

3-[6-(methylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenol (PubChem CID 52941331) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[6-(methylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenol.

Molecular Properties

Compound Name3-[6-(methylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenol
PubChem CID52941331
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-[6-(methylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenol
SMILESCNc1cc(-c2cccc(O)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H18N4O2/c1-16-14-10-13(11-3-2-4-12(20)9-11)17-15(18-14)19-5-7-21-8-6-19/h2-4,9-10,20H,5-8H2,1H3,(H,16,17,18)
InChIKeyVGCKRPJTFAUOTK-UHFFFAOYSA-N
XLogP1.73
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(methylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenol?
The IUPAC name of 3-[6-(methylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenol (CID 52941331) is 3-[6-(methylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenol.
What is the SMILES notation for 3-[6-(methylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenol?
The canonical SMILES for 3-[6-(methylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenol is CNc1cc(-c2cccc(O)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 3-[6-(methylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenol?
The InChIKey is VGCKRPJTFAUOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-16-14-10-13(11-3-2-4-12(20)9-11)17-15(18-14)19-5-7-21-8-6-19/h2-4,9-10,20H,5-8H2,1H3,(H,16,17,18).
What are the key properties of 3-[6-(methylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenol?
3-[6-(methylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenol has a molecular weight of 286.33 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(methylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenol is sourced from PubChem (CID 52941331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).