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

C13H14ClN3S — CID 63729494

IUPAC5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1c(Cl)ncnc1N1CCc2sccc2C1C
InChIInChI=1S/C13H14ClN3S/c1-8-12(14)15-7-16-13(8)17-5-3-11-10(9(17)2)4-6-18-11/h4,6-7,9H,3,5H2,1-2H3
InChIKeyBIWGLDUGNIDACT-UHFFFAOYSA-N
MW279.80 g/mol
LogP3.62
Rot. Bonds1

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

5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 63729494) has the molecular formula C13H14ClN3S and a molecular weight of 279.80 g/mol. Its IUPAC name is 5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID63729494
Molecular FormulaC13H14ClN3S
Molecular Weight279.80 g/mol
Exact Mass279.06
IUPAC Name5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1c(Cl)ncnc1N1CCc2sccc2C1C
InChIInChI=1S/C13H14ClN3S/c1-8-12(14)15-7-16-13(8)17-5-3-11-10(9(17)2)4-6-18-11/h4,6-7,9H,3,5H2,1-2H3
InChIKeyBIWGLDUGNIDACT-UHFFFAOYSA-N
XLogP3.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.80
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(6-chloro-5-methylpyrimidin-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-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63729324
5-(6-chloro-5-propylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63729322
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
4-chloro-2-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidine-5-carbaldehyde
CID 80732572
5-(6-fluoropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 115416778
5-(2-chloro-6-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 62482407
2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile
CID 94015449
5-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 105383564
3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoxalin-2-amine
CID 102985686

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 63729494) is 5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is Cc1c(Cl)ncnc1N1CCc2sccc2C1C.
What is the InChIKey of 5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is BIWGLDUGNIDACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3S/c1-8-12(14)15-7-16-13(8)17-5-3-11-10(9(17)2)4-6-18-11/h4,6-7,9H,3,5H2,1-2H3.
What are the key properties of 5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 279.80 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 63729494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).