(2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-phenylpyrido[2,3-d]pyrimidin-2-yl)morpholine

C23H27N5O2 — CID 46882231

IUPAC(2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-phenylpyrido[2,3-d]pyrimidin-2-yl)morpholine
SMILESC[C@@H]1CN(c2nc(N3CCOCC3)c3ccc(-c4ccccc4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C23H27N5O2/c1-16-14-28(15-17(2)30-16)23-25-21-19(22(26-23)27-10-12-29-13-11-27)8-9-20(24-21)18-6-4-3-5-7-18/h3-9,16-17H,10-15H2,1-2H3/t16-,17+
InChIKeyNREWEERFPBNGQH-CALCHBBNSA-N
MW405.50 g/mol
LogP3.14
Rot. Bonds3

About (2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-phenylpyrido[2,3-d]pyrimidin-2-yl)morpholine

(2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-phenylpyrido[2,3-d]pyrimidin-2-yl)morpholine (PubChem CID 46882231) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-phenylpyrido[2,3-d]pyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-phenylpyrido[2,3-d]pyrimidin-2-yl)morpholine
PubChem CID46882231
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name(2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-phenylpyrido[2,3-d]pyrimidin-2-yl)morpholine
SMILESC[C@@H]1CN(c2nc(N3CCOCC3)c3ccc(-c4ccccc4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C23H27N5O2/c1-16-14-28(15-17(2)30-16)23-25-21-19(22(26-23)27-10-12-29-13-11-27)8-9-20(24-21)18-6-4-3-5-7-18/h3-9,16-17H,10-15H2,1-2H3/t16-,17+
InChIKeyNREWEERFPBNGQH-CALCHBBNSA-N
XLogP3.14
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-phenylpyrido[2,3-d]pyrimidin-2-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-phenylpyrido[2,3-d]pyrimidin-2-yl)morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-phenylpyrido[2,3-d]pyrimidin-2-yl)morpholine (CID 46882231) is (2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-phenylpyrido[2,3-d]pyrimidin-2-yl)morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-phenylpyrido[2,3-d]pyrimidin-2-yl)morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-phenylpyrido[2,3-d]pyrimidin-2-yl)morpholine is C[C@@H]1CN(c2nc(N3CCOCC3)c3ccc(-c4ccccc4)nc3n2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-phenylpyrido[2,3-d]pyrimidin-2-yl)morpholine?
The InChIKey is NREWEERFPBNGQH-CALCHBBNSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16-14-28(15-17(2)30-16)23-25-21-19(22(26-23)27-10-12-29-13-11-27)8-9-20(24-21)18-6-4-3-5-7-18/h3-9,16-17H,10-15H2,1-2H3/t16-,17+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-phenylpyrido[2,3-d]pyrimidin-2-yl)morpholine?
(2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-phenylpyrido[2,3-d]pyrimidin-2-yl)morpholine has a molecular weight of 405.50 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-phenylpyrido[2,3-d]pyrimidin-2-yl)morpholine is sourced from PubChem (CID 46882231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).