2-[3-(4-chloro-5-ethylpyrrolo[2,3-d]pyrimidin-7-yl)cyclobutyl]acetamide

C14H17ClN4O — CID 89327933

IUPAC2-[3-(4-chloro-5-ethylpyrrolo[2,3-d]pyrimidin-7-yl)cyclobutyl]acetamide
SMILESCCc1cn(C2CC(CC(N)=O)C2)c2ncnc(Cl)c12
InChIInChI=1S/C14H17ClN4O/c1-2-9-6-19(10-3-8(4-10)5-11(16)20)14-12(9)13(15)17-7-18-14/h6-8,10H,2-5H2,1H3,(H2,16,20)
InChIKeyPKUAUNGGCSRTJY-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.47
Rot. Bonds4

About 2-[3-(4-chloro-5-ethylpyrrolo[2,3-d]pyrimidin-7-yl)cyclobutyl]acetamide

2-[3-(4-chloro-5-ethylpyrrolo[2,3-d]pyrimidin-7-yl)cyclobutyl]acetamide (PubChem CID 89327933) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-[3-(4-chloro-5-ethylpyrrolo[2,3-d]pyrimidin-7-yl)cyclobutyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chloro-5-ethylpyrrolo[2,3-d]pyrimidin-7-yl)cyclobutyl]acetamide
PubChem CID89327933
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name2-[3-(4-chloro-5-ethylpyrrolo[2,3-d]pyrimidin-7-yl)cyclobutyl]acetamide
SMILESCCc1cn(C2CC(CC(N)=O)C2)c2ncnc(Cl)c12
InChIInChI=1S/C14H17ClN4O/c1-2-9-6-19(10-3-8(4-10)5-11(16)20)14-12(9)13(15)17-7-18-14/h6-8,10H,2-5H2,1H3,(H2,16,20)
InChIKeyPKUAUNGGCSRTJY-UHFFFAOYSA-N
XLogP2.47
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chloro-5-ethylpyrrolo[2,3-d]pyrimidin-7-yl)cyclobutyl]acetamide?
The IUPAC name of 2-[3-(4-chloro-5-ethylpyrrolo[2,3-d]pyrimidin-7-yl)cyclobutyl]acetamide (CID 89327933) is 2-[3-(4-chloro-5-ethylpyrrolo[2,3-d]pyrimidin-7-yl)cyclobutyl]acetamide.
What is the SMILES notation for 2-[3-(4-chloro-5-ethylpyrrolo[2,3-d]pyrimidin-7-yl)cyclobutyl]acetamide?
The canonical SMILES for 2-[3-(4-chloro-5-ethylpyrrolo[2,3-d]pyrimidin-7-yl)cyclobutyl]acetamide is CCc1cn(C2CC(CC(N)=O)C2)c2ncnc(Cl)c12.
What is the InChIKey of 2-[3-(4-chloro-5-ethylpyrrolo[2,3-d]pyrimidin-7-yl)cyclobutyl]acetamide?
The InChIKey is PKUAUNGGCSRTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-2-9-6-19(10-3-8(4-10)5-11(16)20)14-12(9)13(15)17-7-18-14/h6-8,10H,2-5H2,1H3,(H2,16,20).
What are the key properties of 2-[3-(4-chloro-5-ethylpyrrolo[2,3-d]pyrimidin-7-yl)cyclobutyl]acetamide?
2-[3-(4-chloro-5-ethylpyrrolo[2,3-d]pyrimidin-7-yl)cyclobutyl]acetamide has a molecular weight of 292.77 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chloro-5-ethylpyrrolo[2,3-d]pyrimidin-7-yl)cyclobutyl]acetamide is sourced from PubChem (CID 89327933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).