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

C18H19N3OS — CID 3937786

IUPAC2,6-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
SMILESCC1CN(c2ncnc3sc(-c4ccccc4)cc23)CC(C)O1
InChIInChI=1S/C18H19N3OS/c1-12-9-21(10-13(2)22-12)17-15-8-16(14-6-4-3-5-7-14)23-18(15)20-11-19-17/h3-8,11-13H,9-10H2,1-2H3
InChIKeyNPLUOCHUCYECJR-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.97
Rot. Bonds2

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

2,6-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine (PubChem CID 3937786) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2,6-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
PubChem CID3937786
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2,6-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
SMILESCC1CN(c2ncnc3sc(-c4ccccc4)cc23)CC(C)O1
InChIInChI=1S/C18H19N3OS/c1-12-9-21(10-13(2)22-12)17-15-8-16(14-6-4-3-5-7-14)23-18(15)20-11-19-17/h3-8,11-13H,9-10H2,1-2H3
InChIKeyNPLUOCHUCYECJR-UHFFFAOYSA-N
XLogP3.97
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 2,6-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine (CID 3937786) is 2,6-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 2,6-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 2,6-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine is CC1CN(c2ncnc3sc(-c4ccccc4)cc23)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The InChIKey is NPLUOCHUCYECJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12-9-21(10-13(2)22-12)17-15-8-16(14-6-4-3-5-7-14)23-18(15)20-11-19-17/h3-8,11-13H,9-10H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine?
2,6-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine has a molecular weight of 325.44 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 3937786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).