2-[[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol

C26H34N6O3 — CID 71560030

IUPAC2-[[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol
SMILESC[C@@H]1CN(c2nc(N3CCOCC3)c3ccc(-c4cccc(CNCCO)c4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C26H34N6O3/c1-18-16-32(17-19(2)35-18)26-29-24-22(25(30-26)31-9-12-34-13-10-31)6-7-23(28-24)21-5-3-4-20(14-21)15-27-8-11-33/h3-7,14,18-19,27,33H,8-13,15-17H2,1-2H3/t18-,19+
InChIKeyIFKPFSWLXNIXBW-KDURUIRLSA-N
MW478.60 g/mol
LogP2.22
Rot. Bonds7

About 2-[[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol

2-[[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol (PubChem CID 71560030) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is 2-[[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol
PubChem CID71560030
Molecular FormulaC26H34N6O3
Molecular Weight478.60 g/mol
Exact Mass478.27
IUPAC Name2-[[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol
SMILESC[C@@H]1CN(c2nc(N3CCOCC3)c3ccc(-c4cccc(CNCCO)c4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C26H34N6O3/c1-18-16-32(17-19(2)35-18)26-29-24-22(25(30-26)31-9-12-34-13-10-31)6-7-23(28-24)21-5-3-4-20(14-21)15-27-8-11-33/h3-7,14,18-19,27,33H,8-13,15-17H2,1-2H3/t18-,19+
InChIKeyIFKPFSWLXNIXBW-KDURUIRLSA-N
XLogP2.22
TPSA95.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol?
The IUPAC name of 2-[[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol (CID 71560030) is 2-[[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol is C[C@@H]1CN(c2nc(N3CCOCC3)c3ccc(-c4cccc(CNCCO)c4)nc3n2)C[C@H](C)O1.
What is the InChIKey of 2-[[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol?
The InChIKey is IFKPFSWLXNIXBW-KDURUIRLSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-18-16-32(17-19(2)35-18)26-29-24-22(25(30-26)31-9-12-34-13-10-31)6-7-23(28-24)21-5-3-4-20(14-21)15-27-8-11-33/h3-7,14,18-19,27,33H,8-13,15-17H2,1-2H3/t18-,19+.
What are the key properties of 2-[[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol?
2-[[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol has a molecular weight of 478.60 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol is sourced from PubChem (CID 71560030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).