4-[(4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine

C17H16ClN3OS — CID 2393289

IUPAC4-[(4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine
SMILESClc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C17H16ClN3OS/c18-16-15-13(12-4-2-1-3-5-12)11-23-17(15)20-14(19-16)10-21-6-8-22-9-7-21/h1-5,11H,6-10H2
InChIKeyGUTWGBRZKXGUIT-UHFFFAOYSA-N
MW345.85 g/mol
LogP3.84
Rot. Bonds3

About 4-[(4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine

4-[(4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine (PubChem CID 2393289) has the molecular formula C17H16ClN3OS and a molecular weight of 345.85 g/mol. Its IUPAC name is 4-[(4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine
PubChem CID2393289
Molecular FormulaC17H16ClN3OS
Molecular Weight345.85 g/mol
Exact Mass345.07
IUPAC Name4-[(4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine
SMILESClc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C17H16ClN3OS/c18-16-15-13(12-4-2-1-3-5-12)11-23-17(15)20-14(19-16)10-21-6-8-22-9-7-21/h1-5,11H,6-10H2
InChIKeyGUTWGBRZKXGUIT-UHFFFAOYSA-N
XLogP3.84
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine?
The IUPAC name of 4-[(4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine (CID 2393289) is 4-[(4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine is Clc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12.
What is the InChIKey of 4-[(4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine?
The InChIKey is GUTWGBRZKXGUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS/c18-16-15-13(12-4-2-1-3-5-12)11-23-17(15)20-14(19-16)10-21-6-8-22-9-7-21/h1-5,11H,6-10H2.
What are the key properties of 4-[(4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine?
4-[(4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine has a molecular weight of 345.85 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine is sourced from PubChem (CID 2393289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).