4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]thieno[2,3-d]pyrimidine

C18H14N4OS — CID 23156574

IUPAC4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]thieno[2,3-d]pyrimidine
SMILESCc1cc(Oc2ncnc3sccc23)c(-c2ccccn2)nc1C
InChIInChI=1S/C18H14N4OS/c1-11-9-15(16(22-12(11)2)14-5-3-4-7-19-14)23-17-13-6-8-24-18(13)21-10-20-17/h3-10H,1-2H3
InChIKeyCWSFGPPOQJOOFA-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.56
Rot. Bonds3

About 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]thieno[2,3-d]pyrimidine

4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]thieno[2,3-d]pyrimidine (PubChem CID 23156574) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]thieno[2,3-d]pyrimidine
PubChem CID23156574
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]thieno[2,3-d]pyrimidine
SMILESCc1cc(Oc2ncnc3sccc23)c(-c2ccccn2)nc1C
InChIInChI=1S/C18H14N4OS/c1-11-9-15(16(22-12(11)2)14-5-3-4-7-19-14)23-17-13-6-8-24-18(13)21-10-20-17/h3-10H,1-2H3
InChIKeyCWSFGPPOQJOOFA-UHFFFAOYSA-N
XLogP4.56
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]thieno[2,3-d]pyrimidine (CID 23156574) is 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]thieno[2,3-d]pyrimidine is Cc1cc(Oc2ncnc3sccc23)c(-c2ccccn2)nc1C.
What is the InChIKey of 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]thieno[2,3-d]pyrimidine?
The InChIKey is CWSFGPPOQJOOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-11-9-15(16(22-12(11)2)14-5-3-4-7-19-14)23-17-13-6-8-24-18(13)21-10-20-17/h3-10H,1-2H3.
What are the key properties of 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]thieno[2,3-d]pyrimidine?
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]thieno[2,3-d]pyrimidine has a molecular weight of 334.40 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 23156574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).