(2S)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine

C35H44N6O4 — CID 16738119

IUPAC(2S)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine
SMILESCOC[C@H](Cc1ccccc1)NCc1cc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)ccc1OC
InChIInChI=1S/C35H44N6O4/c1-24-21-41(22-25(2)45-24)35-38-33-30(34(39-35)40-14-16-44-17-15-40)11-12-31(37-33)27-10-13-32(43-4)28(19-27)20-36-29(23-42-3)18-26-8-6-5-7-9-26/h5-13,19,24-25,29,36H,14-18,20-23H2,1-4H3/t24-,25+,29-/m0/s1
InChIKeyMVDKRTMDBVFUPH-FVVBACEJSA-N
MW612.78 g/mol
LogP4.50
Rot. Bonds11

About (2S)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine

(2S)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine (PubChem CID 16738119) has the molecular formula C35H44N6O4 and a molecular weight of 612.78 g/mol. Its IUPAC name is (2S)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine
PubChem CID16738119
Molecular FormulaC35H44N6O4
Molecular Weight612.78 g/mol
Exact Mass612.34
IUPAC Name(2S)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine
SMILESCOC[C@H](Cc1ccccc1)NCc1cc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)ccc1OC
InChIInChI=1S/C35H44N6O4/c1-24-21-41(22-25(2)45-24)35-38-33-30(34(39-35)40-14-16-44-17-15-40)11-12-31(37-33)27-10-13-32(43-4)28(19-27)20-36-29(23-42-3)18-26-8-6-5-7-9-26/h5-13,19,24-25,29,36H,14-18,20-23H2,1-4H3/t24-,25+,29-/m0/s1
InChIKeyMVDKRTMDBVFUPH-FVVBACEJSA-N
XLogP4.50
TPSA94.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.78
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (2S)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine?
The IUPAC name of (2S)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine (CID 16738119) is (2S)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine.
What is the SMILES notation for (2S)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine?
The canonical SMILES for (2S)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine is COC[C@H](Cc1ccccc1)NCc1cc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)ccc1OC.
What is the InChIKey of (2S)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine?
The InChIKey is MVDKRTMDBVFUPH-FVVBACEJSA-N. The full InChI is InChI=1S/C35H44N6O4/c1-24-21-41(22-25(2)45-24)35-38-33-30(34(39-35)40-14-16-44-17-15-40)11-12-31(37-33)27-10-13-32(43-4)28(19-27)20-36-29(23-42-3)18-26-8-6-5-7-9-26/h5-13,19,24-25,29,36H,14-18,20-23H2,1-4H3/t24-,25+,29-/m0/s1.
What are the key properties of (2S)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine?
(2S)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine has a molecular weight of 612.78 g/mol, XLogP of 4.50, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine is sourced from PubChem (CID 16738119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).