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

C14H19ClN2O2S — CID 103319783

IUPAC4-(2-butoxyethoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
SMILESCCCCOCCOc1nc(Cl)nc2sc(CC)cc12
InChIInChI=1S/C14H19ClN2O2S/c1-3-5-6-18-7-8-19-12-11-9-10(4-2)20-13(11)17-14(15)16-12/h9H,3-8H2,1-2H3
InChIKeySXJCXHFHBNOLPV-UHFFFAOYSA-N
MW314.84 g/mol
LogP4.10
Rot. Bonds8

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

4-(2-butoxyethoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine (PubChem CID 103319783) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-butoxyethoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
PubChem CID103319783
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name4-(2-butoxyethoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
SMILESCCCCOCCOc1nc(Cl)nc2sc(CC)cc12
InChIInChI=1S/C14H19ClN2O2S/c1-3-5-6-18-7-8-19-12-11-9-10(4-2)20-13(11)17-14(15)16-12/h9H,3-8H2,1-2H3
InChIKeySXJCXHFHBNOLPV-UHFFFAOYSA-N
XLogP4.10
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 54.10
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-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine
CID 103319793
2-chloro-6-ethyl-4-(2-pyridin-2-ylethoxy)thieno[2,3-d]pyrimidine
CID 103319823
2-chloro-6-ethyl-4-(4-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319860
2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-6-ethylthieno[2,3-d]pyrimidine
CID 103320133
2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319922
[4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336016
3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol
CID 103331610
2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine
CID 103320088
4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103320225
2-chloro-6-ethyl-4-(3-ethylcyclohexyl)oxythieno[2,3-d]pyrimidine
CID 103320131
2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxyethanol
CID 103331574
6-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]thieno[2,3-d]pyrimidin-2-amine
CID 103333367

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-butoxyethoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine (CID 103319783) is 4-(2-butoxyethoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-butoxyethoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-butoxyethoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine is CCCCOCCOc1nc(Cl)nc2sc(CC)cc12.
What is the InChIKey of 4-(2-butoxyethoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine?
The InChIKey is SXJCXHFHBNOLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c1-3-5-6-18-7-8-19-12-11-9-10(4-2)20-13(11)17-14(15)16-12/h9H,3-8H2,1-2H3.
What are the key properties of 4-(2-butoxyethoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine?
4-(2-butoxyethoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine has a molecular weight of 314.84 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 103319783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).