4-[2-chloro-6-(6-fluoro-3-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]morpholine

C15H12ClFN4OS — CID 86618371

IUPAC4-[2-chloro-6-(6-fluoro-3-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESFc1ccc(-c2cc3c(N4CCOCC4)nc(Cl)nc3s2)cn1
InChIInChI=1S/C15H12ClFN4OS/c16-15-19-13(21-3-5-22-6-4-21)10-7-11(23-14(10)20-15)9-1-2-12(17)18-8-9/h1-2,7-8H,3-6H2
InChIKeyXQVCEDHXAWYREU-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.38
Rot. Bonds2

About 4-[2-chloro-6-(6-fluoro-3-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]morpholine

4-[2-chloro-6-(6-fluoro-3-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 86618371) has the molecular formula C15H12ClFN4OS and a molecular weight of 350.81 g/mol. Its IUPAC name is 4-[2-chloro-6-(6-fluoro-3-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-6-(6-fluoro-3-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID86618371
Molecular FormulaC15H12ClFN4OS
Molecular Weight350.81 g/mol
Exact Mass350.04
IUPAC Name4-[2-chloro-6-(6-fluoro-3-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESFc1ccc(-c2cc3c(N4CCOCC4)nc(Cl)nc3s2)cn1
InChIInChI=1S/C15H12ClFN4OS/c16-15-19-13(21-3-5-22-6-4-21)10-7-11(23-14(10)20-15)9-1-2-12(17)18-8-9/h1-2,7-8H,3-6H2
InChIKeyXQVCEDHXAWYREU-UHFFFAOYSA-N
XLogP3.38
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(2,6-dichlorothieno[2,3-d]pyrimidin-4-yl)morpholine
CID 86624262
N-[3-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide
CID 87669032
5-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)pyridin-2-amine
CID 86618369
1-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)ethanamine
CID 91607698
4-[2-chloro-6-(2-methoxypropan-2-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 86624263
4-(2-chloro-7-pyrimidin-5-ylquinazolin-4-yl)morpholine
CID 86665759
4-(2-chloro-6-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 138682176
4-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)aniline
CID 59829352
2-chloro-4-morpholin-4-ylquinazolin-7-ol
CID 137308981
5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 59507831
4-[2-chloro-6-(diethoxyphosphorylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 56833948
4-[2-chloro-6-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 87689923

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-(6-fluoro-3-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-chloro-6-(6-fluoro-3-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]morpholine (CID 86618371) is 4-[2-chloro-6-(6-fluoro-3-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-6-(6-fluoro-3-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-chloro-6-(6-fluoro-3-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]morpholine is Fc1ccc(-c2cc3c(N4CCOCC4)nc(Cl)nc3s2)cn1.
What is the InChIKey of 4-[2-chloro-6-(6-fluoro-3-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is XQVCEDHXAWYREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4OS/c16-15-19-13(21-3-5-22-6-4-21)10-7-11(23-14(10)20-15)9-1-2-12(17)18-8-9/h1-2,7-8H,3-6H2.
What are the key properties of 4-[2-chloro-6-(6-fluoro-3-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
4-[2-chloro-6-(6-fluoro-3-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 350.81 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-(6-fluoro-3-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 86618371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).