6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)thieno[3,2-b]pyridine

C13H10N4S — CID 114740551

IUPAC6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)thieno[3,2-b]pyridine
SMILESc1cc2ncc(-c3ncc4c(n3)CNC4)cc2s1
InChIInChI=1S/C13H10N4S/c1-2-18-12-3-8(5-15-10(1)12)13-16-6-9-4-14-7-11(9)17-13/h1-3,5-6,14H,4,7H2
InChIKeyDWFWOSUEUOOWAD-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.36
Rot. Bonds1

About 6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)thieno[3,2-b]pyridine

6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)thieno[3,2-b]pyridine (PubChem CID 114740551) has the molecular formula C13H10N4S and a molecular weight of 254.32 g/mol. Its IUPAC name is 6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)thieno[3,2-b]pyridine.

Molecular Properties

Compound Name6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)thieno[3,2-b]pyridine
PubChem CID114740551
Molecular FormulaC13H10N4S
Molecular Weight254.32 g/mol
Exact Mass254.06
IUPAC Name6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)thieno[3,2-b]pyridine
SMILESc1cc2ncc(-c3ncc4c(n3)CNC4)cc2s1
InChIInChI=1S/C13H10N4S/c1-2-18-12-3-8(5-15-10(1)12)13-16-6-9-4-14-7-11(9)17-13/h1-3,5-6,14H,4,7H2
InChIKeyDWFWOSUEUOOWAD-UHFFFAOYSA-N
XLogP2.36
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)thieno[3,2-b]pyridine with MolForge

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Related Compounds

(2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81424689
2-thieno[3,2-b]pyridin-6-yl-7,8-dihydro-6H-quinazolin-5-one
CID 81147875
2-(4-ethylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740532
N-methyl-2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 81148282
2-(2-bromo-5-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114016466
2-methyl-N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 81146424
N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]ethanamine
CID 81143145
5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one
CID 107436533
6-cyclopropyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81143436
N-ethyl-1-(4-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-5-yl)ethanamine
CID 81146701
5-iodo-N-methyl-6-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81148160
2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115006280

Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)thieno[3,2-b]pyridine?
The IUPAC name of 6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)thieno[3,2-b]pyridine (CID 114740551) is 6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)thieno[3,2-b]pyridine.
What is the SMILES notation for 6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)thieno[3,2-b]pyridine?
The canonical SMILES for 6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)thieno[3,2-b]pyridine is c1cc2ncc(-c3ncc4c(n3)CNC4)cc2s1.
What is the InChIKey of 6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)thieno[3,2-b]pyridine?
The InChIKey is DWFWOSUEUOOWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4S/c1-2-18-12-3-8(5-15-10(1)12)13-16-6-9-4-14-7-11(9)17-13/h1-3,5-6,14H,4,7H2.
What are the key properties of 6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)thieno[3,2-b]pyridine?
6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)thieno[3,2-b]pyridine has a molecular weight of 254.32 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)thieno[3,2-b]pyridine is sourced from PubChem (CID 114740551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).