(2R,6R)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine

C23H28N4OS — CID 51957175

IUPAC(2R,6R)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine
SMILESC[C@@H]1CN(C2CCN(c3ncnc4sc(-c5ccccc5)cc34)CC2)C[C@@H](C)O1
InChIInChI=1S/C23H28N4OS/c1-16-13-27(14-17(2)28-16)19-8-10-26(11-9-19)22-20-12-21(18-6-4-3-5-7-18)29-23(20)25-15-24-22/h3-7,12,15-17,19H,8-11,13-14H2,1-2H3/t16-,17-/m1/s1
InChIKeyYOLYATPFCWUWJN-IAGOWNOFSA-N
MW408.57 g/mol
LogP4.44
Rot. Bonds3

About (2R,6R)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine

(2R,6R)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine (PubChem CID 51957175) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine
PubChem CID51957175
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC Name(2R,6R)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine
SMILESC[C@@H]1CN(C2CCN(c3ncnc4sc(-c5ccccc5)cc34)CC2)C[C@@H](C)O1
InChIInChI=1S/C23H28N4OS/c1-16-13-27(14-17(2)28-16)19-8-10-26(11-9-19)22-20-12-21(18-6-4-3-5-7-18)29-23(20)25-15-24-22/h3-7,12,15-17,19H,8-11,13-14H2,1-2H3/t16-,17-/m1/s1
InChIKeyYOLYATPFCWUWJN-IAGOWNOFSA-N
XLogP4.44
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,6S)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine
CID 51957174
(2S,6R)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine
CID 51957173
2,6-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 3937786
[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286404
2,5-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 154860690
6-phenyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 133280126
(2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 28846771
morpholin-4-yl-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 55500958
3-methyl-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052335
(2-hydroxyphenyl)-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 52676705
6-phenylthieno[2,3-d]pyrimidine-4-thiolate
CID 7059157
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 133374883

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine?
The IUPAC name of (2R,6R)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine (CID 51957175) is (2R,6R)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine?
The canonical SMILES for (2R,6R)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine is C[C@@H]1CN(C2CCN(c3ncnc4sc(-c5ccccc5)cc34)CC2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine?
The InChIKey is YOLYATPFCWUWJN-IAGOWNOFSA-N. The full InChI is InChI=1S/C23H28N4OS/c1-16-13-27(14-17(2)28-16)19-8-10-26(11-9-19)22-20-12-21(18-6-4-3-5-7-18)29-23(20)25-15-24-22/h3-7,12,15-17,19H,8-11,13-14H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine?
(2R,6R)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine has a molecular weight of 408.57 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine is sourced from PubChem (CID 51957175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).