5-(6-chloro-5-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C14H16ClN3S — CID 63729324

IUPAC5-(6-chloro-5-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCc1c(Cl)ncnc1N1CCc2sccc2C1C
InChIInChI=1S/C14H16ClN3S/c1-3-10-13(15)16-8-17-14(10)18-6-4-12-11(9(18)2)5-7-19-12/h5,7-9H,3-4,6H2,1-2H3
InChIKeyLHOOQSBAAOVXOC-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.88
Rot. Bonds2

About 5-(6-chloro-5-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-(6-chloro-5-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 63729324) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 5-(6-chloro-5-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(6-chloro-5-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID63729324
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name5-(6-chloro-5-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCc1c(Cl)ncnc1N1CCc2sccc2C1C
InChIInChI=1S/C14H16ClN3S/c1-3-10-13(15)16-8-17-14(10)18-6-4-12-11(9(18)2)5-7-19-12/h5,7-9H,3-4,6H2,1-2H3
InChIKeyLHOOQSBAAOVXOC-UHFFFAOYSA-N
XLogP3.88
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(6-chloro-5-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine with MolForge

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Related Compounds

5-(6-chloro-5-propylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63729322
5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63729494
5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79633122
(4S)-4-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 25316000
5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 103583276
5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79081457
5-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 105383564
5-(6-fluoropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 115416778
4-chloro-2-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidine-5-carbaldehyde
CID 80732572
N-ethyl-5-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
CID 80815193
2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile
CID 94015449
4-ethyl-5-quinazolin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 24508226

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-5-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(6-chloro-5-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 63729324) is 5-(6-chloro-5-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(6-chloro-5-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(6-chloro-5-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is CCc1c(Cl)ncnc1N1CCc2sccc2C1C.
What is the InChIKey of 5-(6-chloro-5-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is LHOOQSBAAOVXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c1-3-10-13(15)16-8-17-14(10)18-6-4-12-11(9(18)2)5-7-19-12/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 5-(6-chloro-5-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(6-chloro-5-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 293.82 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-5-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 63729324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).