2-chloro-6-ethyl-4-(3-ethylcyclohexyl)oxythieno[2,3-d]pyrimidine

C16H21ClN2OS — CID 103320131

IUPAC2-chloro-6-ethyl-4-(3-ethylcyclohexyl)oxythieno[2,3-d]pyrimidine
SMILESCCc1cc2c(OC3CCCC(CC)C3)nc(Cl)nc2s1
InChIInChI=1S/C16H21ClN2OS/c1-3-10-6-5-7-11(8-10)20-14-13-9-12(4-2)21-15(13)19-16(17)18-14/h9-11H,3-8H2,1-2H3
InChIKeyXQJGNJVWEYCZNU-UHFFFAOYSA-N
MW324.88 g/mol
LogP5.25
Rot. Bonds4

About 2-chloro-6-ethyl-4-(3-ethylcyclohexyl)oxythieno[2,3-d]pyrimidine

2-chloro-6-ethyl-4-(3-ethylcyclohexyl)oxythieno[2,3-d]pyrimidine (PubChem CID 103320131) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is 2-chloro-6-ethyl-4-(3-ethylcyclohexyl)oxythieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-ethyl-4-(3-ethylcyclohexyl)oxythieno[2,3-d]pyrimidine
PubChem CID103320131
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name2-chloro-6-ethyl-4-(3-ethylcyclohexyl)oxythieno[2,3-d]pyrimidine
SMILESCCc1cc2c(OC3CCCC(CC)C3)nc(Cl)nc2s1
InChIInChI=1S/C16H21ClN2OS/c1-3-10-6-5-7-11(8-10)20-14-13-9-12(4-2)21-15(13)19-16(17)18-14/h9-11H,3-8H2,1-2H3
InChIKeyXQJGNJVWEYCZNU-UHFFFAOYSA-N
XLogP5.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.88
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(2,6-dimethyloxan-4-yl)oxy-6-ethylthieno[2,3-d]pyrimidine
CID 103320232
[6-ethyl-4-(3-methylcyclohexyl)oxythieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336034
3,5-dichloro-6-(3-ethylcyclohexyl)oxypyridin-2-amine
CID 102761005
2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-6-ethylthieno[2,3-d]pyrimidine
CID 103320133
2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321723
2-chloro-N-(2-cyclopentylethyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103320769
6-ethyl-4-N-(3-ethylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328382
2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320521
4-(2-butoxyethoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103319783
2-chloro-6-ethyl-4-(4-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319860
6-ethyl-2-(3-ethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 65412798
2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319922

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-4-(3-ethylcyclohexyl)oxythieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-6-ethyl-4-(3-ethylcyclohexyl)oxythieno[2,3-d]pyrimidine (CID 103320131) is 2-chloro-6-ethyl-4-(3-ethylcyclohexyl)oxythieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-ethyl-4-(3-ethylcyclohexyl)oxythieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6-ethyl-4-(3-ethylcyclohexyl)oxythieno[2,3-d]pyrimidine is CCc1cc2c(OC3CCCC(CC)C3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-ethyl-4-(3-ethylcyclohexyl)oxythieno[2,3-d]pyrimidine?
The InChIKey is XQJGNJVWEYCZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c1-3-10-6-5-7-11(8-10)20-14-13-9-12(4-2)21-15(13)19-16(17)18-14/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-chloro-6-ethyl-4-(3-ethylcyclohexyl)oxythieno[2,3-d]pyrimidine?
2-chloro-6-ethyl-4-(3-ethylcyclohexyl)oxythieno[2,3-d]pyrimidine has a molecular weight of 324.88 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-4-(3-ethylcyclohexyl)oxythieno[2,3-d]pyrimidine is sourced from PubChem (CID 103320131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).