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

C12H11Cl2N3S — CID 79633122

IUPAC5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1c1nc(Cl)ncc1Cl
InChIInChI=1S/C12H11Cl2N3S/c1-7-8-3-5-18-10(8)2-4-17(7)11-9(13)6-15-12(14)16-11/h3,5-7H,2,4H2,1H3
InChIKeyKTCHGIMLSQZDSN-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.97
Rot. Bonds1

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

5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 79633122) has the molecular formula C12H11Cl2N3S and a molecular weight of 300.21 g/mol. Its IUPAC name is 5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID79633122
Molecular FormulaC12H11Cl2N3S
Molecular Weight300.21 g/mol
Exact Mass299.01
IUPAC Name5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1c1nc(Cl)ncc1Cl
InChIInChI=1S/C12H11Cl2N3S/c1-7-8-3-5-18-10(8)2-4-17(7)11-9(13)6-15-12(14)16-11/h3,5-7H,2,4H2,1H3
InChIKeyKTCHGIMLSQZDSN-UHFFFAOYSA-N
XLogP3.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79081457
5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 103583276
5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63729494
5-(2-chloro-6-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 62482407
5-(6-chloro-5-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63729324
5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 62857530
4-chloro-N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,5-triazin-2-amine
CID 80815263
3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoxalin-2-amine
CID 102985686
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-chloro-5-propylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63729322
N-ethyl-5-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
CID 80815193
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
CID 80815106

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 79633122) is 5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is CC1c2ccsc2CCN1c1nc(Cl)ncc1Cl.
What is the InChIKey of 5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is KTCHGIMLSQZDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3S/c1-7-8-3-5-18-10(8)2-4-17(7)11-9(13)6-15-12(14)16-11/h3,5-7H,2,4H2,1H3.
What are the key properties of 5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 300.21 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 79633122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).