3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol

C18H18N4O2 — CID 46835756

IUPAC3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol
SMILESCN(C)c1cccc(Oc2cnc(Nc3cccc(O)c3)nc2)c1
InChIInChI=1S/C18H18N4O2/c1-22(2)14-6-4-8-16(10-14)24-17-11-19-18(20-12-17)21-13-5-3-7-15(23)9-13/h3-12,23H,1-2H3,(H,19,20,21)
InChIKeyMFPAAKZZUIRMKR-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.78
Rot. Bonds5

About 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol

3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol (PubChem CID 46835756) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol
PubChem CID46835756
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol
SMILESCN(C)c1cccc(Oc2cnc(Nc3cccc(O)c3)nc2)c1
InChIInChI=1S/C18H18N4O2/c1-22(2)14-6-4-8-16(10-14)24-17-11-19-18(20-12-17)21-13-5-3-7-15(23)9-13/h3-12,23H,1-2H3,(H,19,20,21)
InChIKeyMFPAAKZZUIRMKR-UHFFFAOYSA-N
XLogP3.78
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol?
The IUPAC name of 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol (CID 46835756) is 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol.
What is the SMILES notation for 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol?
The canonical SMILES for 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol is CN(C)c1cccc(Oc2cnc(Nc3cccc(O)c3)nc2)c1.
What is the InChIKey of 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol?
The InChIKey is MFPAAKZZUIRMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-22(2)14-6-4-8-16(10-14)24-17-11-19-18(20-12-17)21-13-5-3-7-15(23)9-13/h3-12,23H,1-2H3,(H,19,20,21).
What are the key properties of 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol?
3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol has a molecular weight of 322.37 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol is sourced from PubChem (CID 46835756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).