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

C20H16N4S — CID 18287230

IUPAC4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESc1ccc(-c2cc3c(N4CCC4)nc(-c4cccnc4)nc3s2)cc1
InChIInChI=1S/C20H16N4S/c1-2-6-14(7-3-1)17-12-16-19(24-10-5-11-24)22-18(23-20(16)25-17)15-8-4-9-21-13-15/h1-4,6-9,12-13H,5,10-11H2
InChIKeyGKWKCMZTYJDSLR-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.63
Rot. Bonds3

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

4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (PubChem CID 18287230) has the molecular formula C20H16N4S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
PubChem CID18287230
Molecular FormulaC20H16N4S
Molecular Weight344.44 g/mol
Exact Mass344.11
IUPAC Name4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESc1ccc(-c2cc3c(N4CCC4)nc(-c4cccnc4)nc3s2)cc1
InChIInChI=1S/C20H16N4S/c1-2-6-14(7-3-1)17-12-16-19(24-10-5-11-24)22-18(23-20(16)25-17)15-8-4-9-21-13-15/h1-4,6-9,12-13H,5,10-11H2
InChIKeyGKWKCMZTYJDSLR-UHFFFAOYSA-N
XLogP4.63
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide
CID 59829571
4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 59817867
4-(4-methylpiperidin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 154811322
6-methyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 71690948
6-bromo-4-piperidin-1-yl-2-pyridin-3-ylquinazoline
CID 71274573
6-ethyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965355
6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965386
4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133333971
6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
CID 141404533
6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965387
4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965383
6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline
CID 71181032

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (CID 18287230) is 4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is c1ccc(-c2cc3c(N4CCC4)nc(-c4cccnc4)nc3s2)cc1.
What is the InChIKey of 4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The InChIKey is GKWKCMZTYJDSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4S/c1-2-6-14(7-3-1)17-12-16-19(24-10-5-11-24)22-18(23-20(16)25-17)15-8-4-9-21-13-15/h1-4,6-9,12-13H,5,10-11H2.
What are the key properties of 4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine has a molecular weight of 344.44 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 18287230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).