4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-6-ethylthieno[2,3-d]pyrimidine

C17H15ClN2S — CID 65414689

IUPAC4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(Cl)nc(C3CCc4ccccc43)nc2s1
InChIInChI=1S/C17H15ClN2S/c1-2-11-9-14-15(18)19-16(20-17(14)21-11)13-8-7-10-5-3-4-6-12(10)13/h3-6,9,13H,2,7-8H2,1H3
InChIKeyXBPXBKDOUPLXPH-UHFFFAOYSA-N
MW314.84 g/mol
LogP4.99
Rot. Bonds2

About 4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-6-ethylthieno[2,3-d]pyrimidine

4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-6-ethylthieno[2,3-d]pyrimidine (PubChem CID 65414689) has the molecular formula C17H15ClN2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-6-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-6-ethylthieno[2,3-d]pyrimidine
PubChem CID65414689
Molecular FormulaC17H15ClN2S
Molecular Weight314.84 g/mol
Exact Mass314.06
IUPAC Name4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(Cl)nc(C3CCc4ccccc43)nc2s1
InChIInChI=1S/C17H15ClN2S/c1-2-11-9-14-15(18)19-16(20-17(14)21-11)13-8-7-10-5-3-4-6-12(10)13/h3-6,9,13H,2,7-8H2,1H3
InChIKeyXBPXBKDOUPLXPH-UHFFFAOYSA-N
XLogP4.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 65413885
4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 63611983
4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine
CID 65415094
4-chloro-6-ethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine
CID 65144576
5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole
CID 65266685
5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 66293143
4-chloro-6-ethyl-N-(2-fluorophenyl)thieno[2,3-d]pyrimidin-2-amine
CID 95528672
N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 65405624
4-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1,3,5-triazin-2-amine
CID 65403941
1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65408598
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
CID 64982062
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-5-ethyl-6-methylpyrimidine
CID 64981739

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-6-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-6-ethylthieno[2,3-d]pyrimidine (CID 65414689) is 4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-6-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-6-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-6-ethylthieno[2,3-d]pyrimidine is CCc1cc2c(Cl)nc(C3CCc4ccccc43)nc2s1.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-6-ethylthieno[2,3-d]pyrimidine?
The InChIKey is XBPXBKDOUPLXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2S/c1-2-11-9-14-15(18)19-16(20-17(14)21-11)13-8-7-10-5-3-4-6-12(10)13/h3-6,9,13H,2,7-8H2,1H3.
What are the key properties of 4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-6-ethylthieno[2,3-d]pyrimidine?
4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-6-ethylthieno[2,3-d]pyrimidine has a molecular weight of 314.84 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-6-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 65414689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).