4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine

C16H16N4S — CID 18150174

IUPAC4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCc1sc2nc(-c3cccnc3)nc(N3CCC3)c2c1C
InChIInChI=1S/C16H16N4S/c1-10-11(2)21-16-13(10)15(20-7-4-8-20)18-14(19-16)12-5-3-6-17-9-12/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyGBPKYIBOVFQRJL-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.58
Rot. Bonds2

About 4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine

4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (PubChem CID 18150174) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
PubChem CID18150174
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCc1sc2nc(-c3cccnc3)nc(N3CCC3)c2c1C
InChIInChI=1S/C16H16N4S/c1-10-11(2)21-16-13(10)15(20-7-4-8-20)18-14(19-16)12-5-3-6-17-9-12/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyGBPKYIBOVFQRJL-UHFFFAOYSA-N
XLogP3.58
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (CID 18150174) is 4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is Cc1sc2nc(-c3cccnc3)nc(N3CCC3)c2c1C.
What is the InChIKey of 4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The InChIKey is GBPKYIBOVFQRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-10-11(2)21-16-13(10)15(20-7-4-8-20)18-14(19-16)12-5-3-6-17-9-12/h3,5-6,9H,4,7-8H2,1-2H3.
What are the key properties of 4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine has a molecular weight of 296.40 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 18150174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).