4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine

C17H15ClN2S — CID 65415094

IUPAC4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine
SMILESCc1cc2c(Cl)nc(C3CCc4ccccc4C3)nc2s1
InChIInChI=1S/C17H15ClN2S/c1-10-8-14-15(18)19-16(20-17(14)21-10)13-7-6-11-4-2-3-5-12(11)9-13/h2-5,8,13H,6-7,9H2,1H3
InChIKeySCYQDUCAMIGVJL-UHFFFAOYSA-N
MW314.84 g/mol
LogP4.93
Rot. Bonds1

About 4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine

4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine (PubChem CID 65415094) has the molecular formula C17H15ClN2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine
PubChem CID65415094
Molecular FormulaC17H15ClN2S
Molecular Weight314.84 g/mol
Exact Mass314.06
IUPAC Name4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine
SMILESCc1cc2c(Cl)nc(C3CCc4ccccc4C3)nc2s1
InChIInChI=1S/C17H15ClN2S/c1-10-8-14-15(18)19-16(20-17(14)21-10)13-7-6-11-4-2-3-5-12(11)9-13/h2-5,8,13H,6-7,9H2,1H3
InChIKeySCYQDUCAMIGVJL-UHFFFAOYSA-N
XLogP4.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine (CID 65415094) is 4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine is Cc1cc2c(Cl)nc(C3CCc4ccccc4C3)nc2s1.
What is the InChIKey of 4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine?
The InChIKey is SCYQDUCAMIGVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2S/c1-10-8-14-15(18)19-16(20-17(14)21-10)13-7-6-11-4-2-3-5-12(11)9-13/h2-5,8,13H,6-7,9H2,1H3.
What are the key properties of 4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine?
4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine has a molecular weight of 314.84 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 65415094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).