2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine

C10H11ClN2O2S — CID 103319718

IUPAC2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine
SMILESCCOCCOc1nc(Cl)nc2sccc12
InChIInChI=1S/C10H11ClN2O2S/c1-2-14-4-5-15-8-7-3-6-16-9(7)13-10(11)12-8/h3,6H,2,4-5H2,1H3
InChIKeyPPYZLQLYUFUNLM-UHFFFAOYSA-N
MW258.73 g/mol
LogP2.76
Rot. Bonds5

About 2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine

2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine (PubChem CID 103319718) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine
PubChem CID103319718
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine
SMILESCCOCCOc1nc(Cl)nc2sccc12
InChIInChI=1S/C10H11ClN2O2S/c1-2-14-4-5-15-8-7-3-6-16-9(7)13-10(11)12-8/h3,6H,2,4-5H2,1H3
InChIKeyPPYZLQLYUFUNLM-UHFFFAOYSA-N
XLogP2.76
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-ethoxythieno[2,3-d]pyrimidine
CID 103319715
2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine
CID 103320209
2,4-diethoxythieno[2,3-d]pyrimidine
CID 119087931
2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine;ethane
CID 153387391
2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine
CID 103319903
2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine
CID 103319866
2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine
CID 103319749
[4-(2-methoxyethoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336076
(4-butoxythieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336122
4-(2-butoxyethoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103319783
2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine
CID 103320173
N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine
CID 103331646

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine (CID 103319718) is 2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine is CCOCCOc1nc(Cl)nc2sccc12.
What is the InChIKey of 2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine?
The InChIKey is PPYZLQLYUFUNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c1-2-14-4-5-15-8-7-3-6-16-9(7)13-10(11)12-8/h3,6H,2,4-5H2,1H3.
What are the key properties of 2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine?
2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine has a molecular weight of 258.73 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 103319718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).