2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine

C15H12Cl2N2OS — CID 103320088

IUPAC2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(Oc3ccc(C)cc3Cl)nc(Cl)nc2s1
InChIInChI=1S/C15H12Cl2N2OS/c1-3-9-7-10-13(18-15(17)19-14(10)21-9)20-12-5-4-8(2)6-11(12)16/h4-7H,3H2,1-2H3
InChIKeyDNIRDVPYEMBNSY-UHFFFAOYSA-N
MW339.25 g/mol
LogP5.66
Rot. Bonds3

About 2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine

2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine (PubChem CID 103320088) has the molecular formula C15H12Cl2N2OS and a molecular weight of 339.25 g/mol. Its IUPAC name is 2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine
PubChem CID103320088
Molecular FormulaC15H12Cl2N2OS
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC Name2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(Oc3ccc(C)cc3Cl)nc(Cl)nc2s1
InChIInChI=1S/C15H12Cl2N2OS/c1-3-9-7-10-13(18-15(17)19-14(10)21-9)20-12-5-4-8(2)6-11(12)16/h4-7H,3H2,1-2H3
InChIKeyDNIRDVPYEMBNSY-UHFFFAOYSA-N
XLogP5.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.25
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-ethyl-4-(4-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319860
2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319922
4-(4-bromo-2-fluorophenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103319978
4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331676
4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103320225
2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-6-ethylthieno[2,3-d]pyrimidine
CID 103320133
2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103320145
4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332445
4-(5-chloro-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332918
2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine
CID 103319793
4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332531
4-(2-butoxyethoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103319783

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine (CID 103320088) is 2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine is CCc1cc2c(Oc3ccc(C)cc3Cl)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine?
The InChIKey is DNIRDVPYEMBNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2OS/c1-3-9-7-10-13(18-15(17)19-14(10)21-9)20-12-5-4-8(2)6-11(12)16/h4-7H,3H2,1-2H3.
What are the key properties of 2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine?
2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine has a molecular weight of 339.25 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 103320088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).