3-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol

C20H21N5O3 — CID 50908894

IUPAC3-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol
SMILESCOc1ccc(Nc2cc(-c3cccc(O)c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C20H21N5O3/c1-27-19-6-5-15(13-21-19)22-18-12-17(14-3-2-4-16(26)11-14)23-20(24-18)25-7-9-28-10-8-25/h2-6,11-13,26H,7-10H2,1H3,(H,22,23,24)
InChIKeyYMQHMPUWBKBXEA-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.83
Rot. Bonds5

About 3-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol

3-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol (PubChem CID 50908894) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol.

Molecular Properties

Compound Name3-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol
PubChem CID50908894
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name3-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol
SMILESCOc1ccc(Nc2cc(-c3cccc(O)c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C20H21N5O3/c1-27-19-6-5-15(13-21-19)22-18-12-17(14-3-2-4-16(26)11-14)23-20(24-18)25-7-9-28-10-8-25/h2-6,11-13,26H,7-10H2,1H3,(H,22,23,24)
InChIKeyYMQHMPUWBKBXEA-UHFFFAOYSA-N
XLogP2.83
TPSA92.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol?
The IUPAC name of 3-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol (CID 50908894) is 3-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol.
What is the SMILES notation for 3-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol?
The canonical SMILES for 3-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol is COc1ccc(Nc2cc(-c3cccc(O)c3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 3-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol?
The InChIKey is YMQHMPUWBKBXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-27-19-6-5-15(13-21-19)22-18-12-17(14-3-2-4-16(26)11-14)23-20(24-18)25-7-9-28-10-8-25/h2-6,11-13,26H,7-10H2,1H3,(H,22,23,24).
What are the key properties of 3-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol?
3-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol has a molecular weight of 379.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol is sourced from PubChem (CID 50908894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).