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

C22H27N7O2 — CID 46882192

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-amine
SMILESC[C@@H]1CN(c2nc(N3CCOCC3)c3ccc(Nc4ccncc4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C22H27N7O2/c1-15-13-29(14-16(2)31-15)22-26-20-18(21(27-22)28-9-11-30-12-10-28)3-4-19(25-20)24-17-5-7-23-8-6-17/h3-8,15-16H,9-14H2,1-2H3,(H,23,24,25,26,27)/t15-,16+
InChIKeyJIGGWWWPHIGPEK-IYBDPMFKSA-N
MW421.51 g/mol
LogP2.61
Rot. Bonds4

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

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-amine (PubChem CID 46882192) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-amine
PubChem CID46882192
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-amine
SMILESC[C@@H]1CN(c2nc(N3CCOCC3)c3ccc(Nc4ccncc4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C22H27N7O2/c1-15-13-29(14-16(2)31-15)22-26-20-18(21(27-22)28-9-11-30-12-10-28)3-4-19(25-20)24-17-5-7-23-8-6-17/h3-8,15-16H,9-14H2,1-2H3,(H,23,24,25,26,27)/t15-,16+
InChIKeyJIGGWWWPHIGPEK-IYBDPMFKSA-N
XLogP2.61
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-amine?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-amine (CID 46882192) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-pyridin-4-ylpyrido[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-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-amine is C[C@@H]1CN(c2nc(N3CCOCC3)c3ccc(Nc4ccncc4)nc3n2)C[C@H](C)O1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-amine?
The InChIKey is JIGGWWWPHIGPEK-IYBDPMFKSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-15-13-29(14-16(2)31-15)22-26-20-18(21(27-22)28-9-11-30-12-10-28)3-4-19(25-20)24-17-5-7-23-8-6-17/h3-8,15-16H,9-14H2,1-2H3,(H,23,24,25,26,27)/t15-,16+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-amine?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-amine has a molecular weight of 421.51 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 9 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-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-amine is sourced from PubChem (CID 46882192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).