4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane

C14H13ClN2S — CID 144926094

IUPAC4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane
SMILESCC.Clc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C12H7ClN2S.C2H6/c13-11-10-9(8-4-2-1-3-5-8)6-16-12(10)15-7-14-11;1-2/h1-7H;1-2H3
InChIKeyHNOOHXBZXOSGEL-UHFFFAOYSA-N
MW276.79 g/mol
LogP5.04
Rot. Bonds1

About 4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane

4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane (PubChem CID 144926094) has the molecular formula C14H13ClN2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane.

Molecular Properties

Compound Name4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane
PubChem CID144926094
Molecular FormulaC14H13ClN2S
Molecular Weight276.79 g/mol
Exact Mass276.05
IUPAC Name4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane
SMILESCC.Clc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C12H7ClN2S.C2H6/c13-11-10-9(8-4-2-1-3-5-8)6-16-12(10)15-7-14-11;1-2/h1-7H;1-2H3
InChIKeyHNOOHXBZXOSGEL-UHFFFAOYSA-N
XLogP5.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.79
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-phenylthieno[2,3-d]pyrimidine;5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 161450976
4-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 118145924
4-iodo-5-phenylthieno[2,3-d]pyrimidine
CID 147258357
5-phenyl-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110659879
2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 4076019
4-(azepan-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 758218
4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 675438
4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 47002660
4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine
CID 82309519
4-methyl-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid
CID 3151032
N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7574829
4-[(2-methylphenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidine
CID 7674181

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane?
The IUPAC name of 4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane (CID 144926094) is 4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane.
What is the SMILES notation for 4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane?
The canonical SMILES for 4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane is CC.Clc1ncnc2scc(-c3ccccc3)c12.
What is the InChIKey of 4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane?
The InChIKey is HNOOHXBZXOSGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2S.C2H6/c13-11-10-9(8-4-2-1-3-5-8)6-16-12(10)15-7-14-11;1-2/h1-7H;1-2H3.
What are the key properties of 4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane?
4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane has a molecular weight of 276.79 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane is sourced from PubChem (CID 144926094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).