3-[6-morpholin-4-yl-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]phenol

C21H23N5O2 — CID 53323983

IUPAC3-[6-morpholin-4-yl-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]phenol
SMILESOc1cccc(-c2cc(N3CCOCC3)nc(NCCc3ccncc3)n2)c1
InChIInChI=1S/C21H23N5O2/c27-18-3-1-2-17(14-18)19-15-20(26-10-12-28-13-11-26)25-21(24-19)23-9-6-16-4-7-22-8-5-16/h1-5,7-8,14-15,27H,6,9-13H2,(H,23,24,25)
InChIKeyFTRZEOVAXFVNCW-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.74
Rot. Bonds6

About 3-[6-morpholin-4-yl-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]phenol

3-[6-morpholin-4-yl-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]phenol (PubChem CID 53323983) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-[6-morpholin-4-yl-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name3-[6-morpholin-4-yl-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]phenol
PubChem CID53323983
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-[6-morpholin-4-yl-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]phenol
SMILESOc1cccc(-c2cc(N3CCOCC3)nc(NCCc3ccncc3)n2)c1
InChIInChI=1S/C21H23N5O2/c27-18-3-1-2-17(14-18)19-15-20(26-10-12-28-13-11-26)25-21(24-19)23-9-6-16-4-7-22-8-5-16/h1-5,7-8,14-15,27H,6,9-13H2,(H,23,24,25)
InChIKeyFTRZEOVAXFVNCW-UHFFFAOYSA-N
XLogP2.74
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-morpholin-4-yl-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]phenol?
The IUPAC name of 3-[6-morpholin-4-yl-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]phenol (CID 53323983) is 3-[6-morpholin-4-yl-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]phenol.
What is the SMILES notation for 3-[6-morpholin-4-yl-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]phenol?
The canonical SMILES for 3-[6-morpholin-4-yl-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]phenol is Oc1cccc(-c2cc(N3CCOCC3)nc(NCCc3ccncc3)n2)c1.
What is the InChIKey of 3-[6-morpholin-4-yl-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]phenol?
The InChIKey is FTRZEOVAXFVNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-18-3-1-2-17(14-18)19-15-20(26-10-12-28-13-11-26)25-21(24-19)23-9-6-16-4-7-22-8-5-16/h1-5,7-8,14-15,27H,6,9-13H2,(H,23,24,25).
What are the key properties of 3-[6-morpholin-4-yl-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]phenol?
3-[6-morpholin-4-yl-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]phenol has a molecular weight of 377.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-morpholin-4-yl-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]phenol is sourced from PubChem (CID 53323983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).