4-chloro-2-naphthalen-2-ylthieno[2,3-d]pyrimidine

C16H9ClN2S — CID 62717082

IUPAC4-chloro-2-naphthalen-2-ylthieno[2,3-d]pyrimidine
SMILESClc1nc(-c2ccc3ccccc3c2)nc2sccc12
InChIInChI=1S/C16H9ClN2S/c17-14-13-7-8-20-16(13)19-15(18-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H
InChIKeyVMFQHSAPFVYKCO-UHFFFAOYSA-N
MW296.78 g/mol
LogP5.16
Rot. Bonds1

About 4-chloro-2-naphthalen-2-ylthieno[2,3-d]pyrimidine

4-chloro-2-naphthalen-2-ylthieno[2,3-d]pyrimidine (PubChem CID 62717082) has the molecular formula C16H9ClN2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 4-chloro-2-naphthalen-2-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-naphthalen-2-ylthieno[2,3-d]pyrimidine
PubChem CID62717082
Molecular FormulaC16H9ClN2S
Molecular Weight296.78 g/mol
Exact Mass296.02
IUPAC Name4-chloro-2-naphthalen-2-ylthieno[2,3-d]pyrimidine
SMILESClc1nc(-c2ccc3ccccc3c2)nc2sccc12
InChIInChI=1S/C16H9ClN2S/c17-14-13-7-8-20-16(13)19-15(18-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H
InChIKeyVMFQHSAPFVYKCO-UHFFFAOYSA-N
XLogP5.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.78
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyrimidine
CID 172833206
4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 62178883
2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine
CID 55181045
3-naphthalen-2-yl-2H-thieno[2,3-c]pyrazole
CID 59796953
4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 141478206
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
4,6-dibromo-2-naphthalen-2-ylpyrimidine
CID 71324653
2-naphthalen-2-yl-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176588187
4-chloro-2-thiophen-2-ylbenzo[g]quinazoline
CID 114589464
2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 174244399
5-naphthalen-2-yl-1-benzothiophene
CID 101067943
2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-naphthalen-2-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-naphthalen-2-ylthieno[2,3-d]pyrimidine (CID 62717082) is 4-chloro-2-naphthalen-2-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-naphthalen-2-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-naphthalen-2-ylthieno[2,3-d]pyrimidine is Clc1nc(-c2ccc3ccccc3c2)nc2sccc12.
What is the InChIKey of 4-chloro-2-naphthalen-2-ylthieno[2,3-d]pyrimidine?
The InChIKey is VMFQHSAPFVYKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2S/c17-14-13-7-8-20-16(13)19-15(18-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H.
What are the key properties of 4-chloro-2-naphthalen-2-ylthieno[2,3-d]pyrimidine?
4-chloro-2-naphthalen-2-ylthieno[2,3-d]pyrimidine has a molecular weight of 296.78 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-naphthalen-2-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 62717082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).