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

C13H14ClN3S — CID 63734924

IUPAC5-(6-chloro-2,5-dimethylpyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1nc(Cl)c(C)c(N2CCc3sccc3C2)n1
InChIInChI=1S/C13H14ClN3S/c1-8-12(14)15-9(2)16-13(8)17-5-3-11-10(7-17)4-6-18-11/h4,6H,3,5,7H2,1-2H3
InChIKeyKOCFACPTNDJAQG-UHFFFAOYSA-N
MW279.80 g/mol
LogP3.37
Rot. Bonds1

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

5-(6-chloro-2,5-dimethylpyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 63734924) has the molecular formula C13H14ClN3S and a molecular weight of 279.80 g/mol. Its IUPAC name is 5-(6-chloro-2,5-dimethylpyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(6-chloro-2,5-dimethylpyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID63734924
Molecular FormulaC13H14ClN3S
Molecular Weight279.80 g/mol
Exact Mass279.06
IUPAC Name5-(6-chloro-2,5-dimethylpyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1nc(Cl)c(C)c(N2CCc3sccc3C2)n1
InChIInChI=1S/C13H14ClN3S/c1-8-12(14)15-9(2)16-13(8)17-5-3-11-10(7-17)4-6-18-11/h4,6H,3,5,7H2,1-2H3
InChIKeyKOCFACPTNDJAQG-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 155800186
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 80979070
5-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 62868181
[5-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]methanol
CID 61252229
4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 63735915
5-[3-(chloromethyl)isoquinolin-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 61256577
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine
CID 24607532
4-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperazin-2-one
CID 63734938
5-[4-(chloromethyl)-6-methyl-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 113378829
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine
CID 80767136
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 80764971
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 80764293

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-2,5-dimethylpyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(6-chloro-2,5-dimethylpyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 63734924) is 5-(6-chloro-2,5-dimethylpyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(6-chloro-2,5-dimethylpyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(6-chloro-2,5-dimethylpyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is Cc1nc(Cl)c(C)c(N2CCc3sccc3C2)n1.
What is the InChIKey of 5-(6-chloro-2,5-dimethylpyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is KOCFACPTNDJAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3S/c1-8-12(14)15-9(2)16-13(8)17-5-3-11-10(7-17)4-6-18-11/h4,6H,3,5,7H2,1-2H3.
What are the key properties of 5-(6-chloro-2,5-dimethylpyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(6-chloro-2,5-dimethylpyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 279.80 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-2,5-dimethylpyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 63734924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).