4-[2-(4-chloro-2,5-difluorophenyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl]morpholine

C16H14ClF2N3OS — CID 71451375

IUPAC4-[2-(4-chloro-2,5-difluorophenyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESFc1cc(-c2nc3c(c(N4CCOCC4)n2)CCS3)c(F)cc1Cl
InChIInChI=1S/C16H14ClF2N3OS/c17-11-8-12(18)10(7-13(11)19)14-20-15(22-2-4-23-5-3-22)9-1-6-24-16(9)21-14/h7-8H,1-6H2
InChIKeyGHOPAHKQKCMYHB-UHFFFAOYSA-N
MW369.82 g/mol
LogP3.56
Rot. Bonds2

About 4-[2-(4-chloro-2,5-difluorophenyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl]morpholine

4-[2-(4-chloro-2,5-difluorophenyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 71451375) 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)-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-chloro-2,5-difluorophenyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID71451375
Molecular FormulaC16H14ClF2N3OS
Molecular Weight369.82 g/mol
Exact Mass369.05
IUPAC Name4-[2-(4-chloro-2,5-difluorophenyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESFc1cc(-c2nc3c(c(N4CCOCC4)n2)CCS3)c(F)cc1Cl
InChIInChI=1S/C16H14ClF2N3OS/c17-11-8-12(18)10(7-13(11)19)14-20-15(22-2-4-23-5-3-22)9-1-6-24-16(9)21-14/h7-8H,1-6H2
InChIKeyGHOPAHKQKCMYHB-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-(4-chloro-2,5-difluorophenyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Chlorophenyl)-6-(4-morpholinyl)-4-pyrimidinyl methyl sulfide
CID 852304
2-(4-Chlorophenyl)-6-(4-morpholinyl)-4-pyrimidinyl isopropyl sulfide
CID 852308
2-(4-Chlorophenyl)-6-(4-morpholinyl)-4-pyrimidinyl ethyl sulfide
CID 852318
4-{6-[(4-Chlorophenyl)sulfanyl]-2-phenyl-4-pyrimidinyl}morpholine
CID 1484728
2-(4-Chloro-2,5-difluorophenyl)-4-morpholin-4-yl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
CID 71454919
4-[2-(4-Chloro-2,5-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]morpholine
CID 71456703
4-[2-(4-Chloro-2,5-difluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]morpholine
CID 71458547
4-[2-(4-chloro-2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]morpholine
CID 71462085
2-(2-Chlorophenyl)-6-(2,6-dimethyl-4-morpholinyl)-4-pyrimidinyl ethyl sulfide
CID 5178600
2-(2-Chlorophenyl)-6-(4-morpholinyl)-4-pyrimidinyl propyl sulfide
CID 7315396
4-Chloro-2-(4-chloro-2,5-difluorophenyl)-5,6-dihydrothieno[2,3-d]pyrimidine
CID 59686310
2-(4-Chloro-2,5-difluorophenyl)-4-(3-methylpiperidin-1-yl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 91510129

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-2,5-difluorophenyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(4-chloro-2,5-difluorophenyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl]morpholine (CID 71451375) is 4-[2-(4-chloro-2,5-difluorophenyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(4-chloro-2,5-difluorophenyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(4-chloro-2,5-difluorophenyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl]morpholine is Fc1cc(-c2nc3c(c(N4CCOCC4)n2)CCS3)c(F)cc1Cl.
What is the InChIKey of 4-[2-(4-chloro-2,5-difluorophenyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is GHOPAHKQKCMYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N3OS/c17-11-8-12(18)10(7-13(11)19)14-20-15(22-2-4-23-5-3-22)9-1-6-24-16(9)21-14/h7-8H,1-6H2.
What are the key properties of 4-[2-(4-chloro-2,5-difluorophenyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl]morpholine?
4-[2-(4-chloro-2,5-difluorophenyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 369.82 g/mol, XLogP of 3.56, 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)-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 71451375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).