4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine

C11H15N3OS — CID 67034865

IUPAC4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCOc1nc(SC)nc2[nH]c(CC)cc12
InChIInChI=1S/C11H15N3OS/c1-4-7-6-8-9(12-7)13-11(16-3)14-10(8)15-5-2/h6H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyNXGLBSYGGXNVFG-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.64
Rot. Bonds4

About 4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine

4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 67034865) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID67034865
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCOc1nc(SC)nc2[nH]c(CC)cc12
InChIInChI=1S/C11H15N3OS/c1-4-7-6-8-9(12-7)13-11(16-3)14-10(8)15-5-2/h6H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyNXGLBSYGGXNVFG-UHFFFAOYSA-N
XLogP2.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine (CID 67034865) is 4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine is CCOc1nc(SC)nc2[nH]c(CC)cc12.
What is the InChIKey of 4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is NXGLBSYGGXNVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-4-7-6-8-9(12-7)13-11(16-3)14-10(8)15-5-2/h6H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 237.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 67034865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).