2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-phenylpyrido[2,3-d]pyrimidin-7-amine

C23H28N6O2 — CID 46882191

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-phenylpyrido[2,3-d]pyrimidin-7-amine
SMILESC[C@@H]1CN(c2nc(N3CCOCC3)c3ccc(Nc4ccccc4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C23H28N6O2/c1-16-14-29(15-17(2)31-16)23-26-21-19(22(27-23)28-10-12-30-13-11-28)8-9-20(25-21)24-18-6-4-3-5-7-18/h3-9,16-17H,10-15H2,1-2H3,(H,24,25,26,27)/t16-,17+
InChIKeyCVULCVVIQYHGSW-CALCHBBNSA-N
MW420.52 g/mol
LogP3.22
Rot. Bonds4

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-phenylpyrido[2,3-d]pyrimidin-7-amine

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-phenylpyrido[2,3-d]pyrimidin-7-amine (PubChem CID 46882191) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-phenylpyrido[2,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-phenylpyrido[2,3-d]pyrimidin-7-amine
PubChem CID46882191
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-phenylpyrido[2,3-d]pyrimidin-7-amine
SMILESC[C@@H]1CN(c2nc(N3CCOCC3)c3ccc(Nc4ccccc4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C23H28N6O2/c1-16-14-29(15-17(2)31-16)23-26-21-19(22(27-23)28-10-12-30-13-11-28)8-9-20(25-21)24-18-6-4-3-5-7-18/h3-9,16-17H,10-15H2,1-2H3,(H,24,25,26,27)/t16-,17+
InChIKeyCVULCVVIQYHGSW-CALCHBBNSA-N
XLogP3.22
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-phenylpyrido[2,3-d]pyrimidin-7-amine?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-phenylpyrido[2,3-d]pyrimidin-7-amine (CID 46882191) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-phenylpyrido[2,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-phenylpyrido[2,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-phenylpyrido[2,3-d]pyrimidin-7-amine is C[C@@H]1CN(c2nc(N3CCOCC3)c3ccc(Nc4ccccc4)nc3n2)C[C@H](C)O1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-phenylpyrido[2,3-d]pyrimidin-7-amine?
The InChIKey is CVULCVVIQYHGSW-CALCHBBNSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-16-14-29(15-17(2)31-16)23-26-21-19(22(27-23)28-10-12-30-13-11-28)8-9-20(25-21)24-18-6-4-3-5-7-18/h3-9,16-17H,10-15H2,1-2H3,(H,24,25,26,27)/t16-,17+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-phenylpyrido[2,3-d]pyrimidin-7-amine?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-phenylpyrido[2,3-d]pyrimidin-7-amine has a molecular weight of 420.52 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-phenylpyrido[2,3-d]pyrimidin-7-amine is sourced from PubChem (CID 46882191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).