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

C21H25N5O2S — CID 16736801

IUPAC(2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-thiophen-3-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine
SMILESC[C@@H]1CN(c2nc(N3CCOCC3)c3ccc(-c4ccsc4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C21H25N5O2S/c1-14-11-26(12-15(2)28-14)21-23-19-17(20(24-21)25-6-8-27-9-7-25)3-4-18(22-19)16-5-10-29-13-16/h3-5,10,13-15H,6-9,11-12H2,1-2H3/t14-,15+
InChIKeyZQHHVNJOQOVPDS-GASCZTMLSA-N
MW411.53 g/mol
LogP3.20
Rot. Bonds3

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

(2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-thiophen-3-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine (PubChem CID 16736801) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-thiophen-3-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-thiophen-3-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine
PubChem CID16736801
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC Name(2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-thiophen-3-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine
SMILESC[C@@H]1CN(c2nc(N3CCOCC3)c3ccc(-c4ccsc4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C21H25N5O2S/c1-14-11-26(12-15(2)28-14)21-23-19-17(20(24-21)25-6-8-27-9-7-25)3-4-18(22-19)16-5-10-29-13-16/h3-5,10,13-15H,6-9,11-12H2,1-2H3/t14-,15+
InChIKeyZQHHVNJOQOVPDS-GASCZTMLSA-N
XLogP3.20
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.20
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-morpholin-4-yl-7-thiophen-3-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-thiophen-3-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine (CID 16736801) is (2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-thiophen-3-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-thiophen-3-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-thiophen-3-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine is C[C@@H]1CN(c2nc(N3CCOCC3)c3ccc(-c4ccsc4)nc3n2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-thiophen-3-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine?
The InChIKey is ZQHHVNJOQOVPDS-GASCZTMLSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-14-11-26(12-15(2)28-14)21-23-19-17(20(24-21)25-6-8-27-9-7-25)3-4-18(22-19)16-5-10-29-13-16/h3-5,10,13-15H,6-9,11-12H2,1-2H3/t14-,15+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-thiophen-3-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine?
(2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-thiophen-3-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine has a molecular weight of 411.53 g/mol, XLogP of 3.20, 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-morpholin-4-yl-7-thiophen-3-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine is sourced from PubChem (CID 16736801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).