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

C25H31N5O5 — CID 135611079

IUPAC4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2,6-dimethoxyphenol
SMILESCOc1cc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc(OC)c1O
InChIInChI=1S/C25H31N5O5/c1-15-13-30(14-16(2)35-15)25-27-23-18(24(28-25)29-7-9-34-10-8-29)5-6-19(26-23)17-11-20(32-3)22(31)21(12-17)33-4/h5-6,11-12,15-16,31H,7-10,13-14H2,1-4H3/t15-,16+
InChIKeyZUBJEIJSNOTAGX-IYBDPMFKSA-N
MW481.55 g/mol
LogP2.86
Rot. Bonds5

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

4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2,6-dimethoxyphenol (PubChem CID 135611079) has the molecular formula C25H31N5O5 and a molecular weight of 481.55 g/mol. Its IUPAC name is 4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2,6-dimethoxyphenol
PubChem CID135611079
Molecular FormulaC25H31N5O5
Molecular Weight481.55 g/mol
Exact Mass481.23
IUPAC Name4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2,6-dimethoxyphenol
SMILESCOc1cc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc(OC)c1O
InChIInChI=1S/C25H31N5O5/c1-15-13-30(14-16(2)35-15)25-27-23-18(24(28-25)29-7-9-34-10-8-29)5-6-19(26-23)17-11-20(32-3)22(31)21(12-17)33-4/h5-6,11-12,15-16,31H,7-10,13-14H2,1-4H3/t15-,16+
InChIKeyZUBJEIJSNOTAGX-IYBDPMFKSA-N
XLogP2.86
TPSA102.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2,6-dimethoxyphenol with MolForge

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Related Compounds

2,6-dimethyl-4-[7-(3-methylphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine
CID 57442061
[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 16736154
N-[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-methoxyethanamine
CID 59776884
N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 16735754
N-[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-4-phenylmethoxyaniline
CID 16738111
5-(2,4-dimorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxybenzaldehyde
CID 143913582
[2-methoxy-5-[2-[(3R)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 146626004
2-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]quinolin-8-ol
CID 57442114
[2-methoxy-5-[4-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 71731490
2-methoxy-5-[4-(3-methylmorpholin-4-yl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 66674135
2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-yl-N-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-amine
CID 57442110
2-methoxy-N-methyl-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid
CID 158779468

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2,6-dimethoxyphenol (CID 135611079) is 4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2,6-dimethoxyphenol is COc1cc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc(OC)c1O.
What is the InChIKey of 4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2,6-dimethoxyphenol?
The InChIKey is ZUBJEIJSNOTAGX-IYBDPMFKSA-N. The full InChI is InChI=1S/C25H31N5O5/c1-15-13-30(14-16(2)35-15)25-27-23-18(24(28-25)29-7-9-34-10-8-29)5-6-19(26-23)17-11-20(32-3)22(31)21(12-17)33-4/h5-6,11-12,15-16,31H,7-10,13-14H2,1-4H3/t15-,16+.
What are the key properties of 4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2,6-dimethoxyphenol?
4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2,6-dimethoxyphenol has a molecular weight of 481.55 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2,6-dimethoxyphenol is sourced from PubChem (CID 135611079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).