(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpteridin-2-yl]morpholine

C23H28N6O2 — CID 57442001

IUPAC(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpteridin-2-yl]morpholine
SMILESC[C@@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ncc(-c4ccccc4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C23H28N6O2/c1-15-14-30-10-9-29(15)22-20-21(25-19(11-24-20)18-7-5-4-6-8-18)26-23(27-22)28-12-16(2)31-17(3)13-28/h4-8,11,15-17H,9-10,12-14H2,1-3H3/t15-,16-,17+/m0/s1
InChIKeyFFOJEGBGRKUXSR-YESZJQIVSA-N
MW420.52 g/mol
LogP2.93
Rot. Bonds3

About (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpteridin-2-yl]morpholine

(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpteridin-2-yl]morpholine (PubChem CID 57442001) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpteridin-2-yl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpteridin-2-yl]morpholine
PubChem CID57442001
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpteridin-2-yl]morpholine
SMILESC[C@@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ncc(-c4ccccc4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C23H28N6O2/c1-15-14-30-10-9-29(15)22-20-21(25-19(11-24-20)18-7-5-4-6-8-18)26-23(27-22)28-12-16(2)31-17(3)13-28/h4-8,11,15-17H,9-10,12-14H2,1-3H3/t15-,16-,17+/m0/s1
InChIKeyFFOJEGBGRKUXSR-YESZJQIVSA-N
XLogP2.93
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpteridin-2-yl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpteridin-2-yl]morpholine (CID 57442001) is (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpteridin-2-yl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpteridin-2-yl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpteridin-2-yl]morpholine is C[C@@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ncc(-c4ccccc4)nc3n2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpteridin-2-yl]morpholine?
The InChIKey is FFOJEGBGRKUXSR-YESZJQIVSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-15-14-30-10-9-29(15)22-20-21(25-19(11-24-20)18-7-5-4-6-8-18)26-23(27-22)28-12-16(2)31-17(3)13-28/h4-8,11,15-17H,9-10,12-14H2,1-3H3/t15-,16-,17+/m0/s1.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpteridin-2-yl]morpholine?
(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpteridin-2-yl]morpholine has a molecular weight of 420.52 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpteridin-2-yl]morpholine is sourced from PubChem (CID 57442001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).