2-chloro-4-(2,6-dimethyloxan-4-yl)oxy-6-ethylthieno[2,3-d]pyrimidine

C15H19ClN2O2S — CID 103320232

IUPAC2-chloro-4-(2,6-dimethyloxan-4-yl)oxy-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(OC3CC(C)OC(C)C3)nc(Cl)nc2s1
InChIInChI=1S/C15H19ClN2O2S/c1-4-11-7-12-13(17-15(16)18-14(12)21-11)20-10-5-8(2)19-9(3)6-10/h7-10H,4-6H2,1-3H3
InChIKeyCMUWBVFPBUHJGP-UHFFFAOYSA-N
MW326.85 g/mol
LogP4.24
Rot. Bonds3

About 2-chloro-4-(2,6-dimethyloxan-4-yl)oxy-6-ethylthieno[2,3-d]pyrimidine

2-chloro-4-(2,6-dimethyloxan-4-yl)oxy-6-ethylthieno[2,3-d]pyrimidine (PubChem CID 103320232) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-chloro-4-(2,6-dimethyloxan-4-yl)oxy-6-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2,6-dimethyloxan-4-yl)oxy-6-ethylthieno[2,3-d]pyrimidine
PubChem CID103320232
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name2-chloro-4-(2,6-dimethyloxan-4-yl)oxy-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(OC3CC(C)OC(C)C3)nc(Cl)nc2s1
InChIInChI=1S/C15H19ClN2O2S/c1-4-11-7-12-13(17-15(16)18-14(12)21-11)20-10-5-8(2)19-9(3)6-10/h7-10H,4-6H2,1-3H3
InChIKeyCMUWBVFPBUHJGP-UHFFFAOYSA-N
XLogP4.24
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,6-dimethyloxan-4-yl)oxy-6-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(2,6-dimethyloxan-4-yl)oxy-6-ethylthieno[2,3-d]pyrimidine (CID 103320232) is 2-chloro-4-(2,6-dimethyloxan-4-yl)oxy-6-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(2,6-dimethyloxan-4-yl)oxy-6-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(2,6-dimethyloxan-4-yl)oxy-6-ethylthieno[2,3-d]pyrimidine is CCc1cc2c(OC3CC(C)OC(C)C3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-4-(2,6-dimethyloxan-4-yl)oxy-6-ethylthieno[2,3-d]pyrimidine?
The InChIKey is CMUWBVFPBUHJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-4-11-7-12-13(17-15(16)18-14(12)21-11)20-10-5-8(2)19-9(3)6-10/h7-10H,4-6H2,1-3H3.
What are the key properties of 2-chloro-4-(2,6-dimethyloxan-4-yl)oxy-6-ethylthieno[2,3-d]pyrimidine?
2-chloro-4-(2,6-dimethyloxan-4-yl)oxy-6-ethylthieno[2,3-d]pyrimidine has a molecular weight of 326.85 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,6-dimethyloxan-4-yl)oxy-6-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 103320232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).