4-[2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]morpholine

C16H14ClF2N3OS — CID 71456703

IUPAC4-[2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]morpholine
SMILESFc1cc(-c2nc3c(c(N4CCOCC4)n2)CSC3)c(F)cc1Cl
InChIInChI=1S/C16H14ClF2N3OS/c17-11-6-12(18)9(5-13(11)19)15-20-14-8-24-7-10(14)16(21-15)22-1-3-23-4-2-22/h5-6H,1-4,7-8H2
InChIKeyLPBQYGYTWQWGPW-UHFFFAOYSA-N
MW369.82 g/mol
LogP3.66
Rot. Bonds2

About 4-[2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]morpholine

4-[2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]morpholine (PubChem CID 71456703) has the molecular formula C16H14ClF2N3OS and a molecular weight of 369.82 g/mol. Its IUPAC name is 4-[2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]morpholine
PubChem CID71456703
Molecular FormulaC16H14ClF2N3OS
Molecular Weight369.82 g/mol
Exact Mass369.05
IUPAC Name4-[2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]morpholine
SMILESFc1cc(-c2nc3c(c(N4CCOCC4)n2)CSC3)c(F)cc1Cl
InChIInChI=1S/C16H14ClF2N3OS/c17-11-6-12(18)9(5-13(11)19)15-20-14-8-24-7-10(14)16(21-15)22-1-3-23-4-2-22/h5-6H,1-4,7-8H2
InChIKeyLPBQYGYTWQWGPW-UHFFFAOYSA-N
XLogP3.66
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.82
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-[1-[2-(4-Chloro-2,5-difluorophenyl)-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 11619762
2-[1-[2-(4-Chloro-2,5-difluorophenyl)-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 67196960
1-[2-(4-Chloro-2,5-difluorophenyl)-6,6-dioxido-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperidin-4-ol
CID 67199175
1-[2-(4-chloro-2,5-difluorophenyl)-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 71449566
[1-[2-(4-Chloro-2,5-difluorophenyl)-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 71451373
4-[2-(4-Chloro-2,5-difluorophenyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl]morpholine
CID 71451375
4-[2-(4-Chloro-2,5-difluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]morpholine
CID 71453179
2-(4-Chloro-2,5-difluorophenyl)-4-morpholin-4-yl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
CID 71454919
2-[4-[2-(4-Chloro-2,5-difluorophenyl)-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]acetamide
CID 71456700
2-[1-[2-(4-Chloro-2,5-difluorophenyl)-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 71456702
1-[2-(4-Chloro-2,5-difluorophenyl)-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 71458546
4-[2-(4-Chloro-2,5-difluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]morpholine
CID 71458547

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]morpholine (CID 71456703) is 4-[2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]morpholine is Fc1cc(-c2nc3c(c(N4CCOCC4)n2)CSC3)c(F)cc1Cl.
What is the InChIKey of 4-[2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is LPBQYGYTWQWGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N3OS/c17-11-6-12(18)9(5-13(11)19)15-20-14-8-24-7-10(14)16(21-15)22-1-3-23-4-2-22/h5-6H,1-4,7-8H2.
What are the key properties of 4-[2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]morpholine?
4-[2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 369.82 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 71456703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).