1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol

C11H14N4O — CID 167868077

IUPAC1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol
SMILESCCc1c[nH]c2ncnc(N3CC(O)C3)c12
InChIInChI=1S/C11H14N4O/c1-2-7-3-12-10-9(7)11(14-6-13-10)15-4-8(16)5-15/h3,6,8,16H,2,4-5H2,1H3,(H,12,13,14)
InChIKeyVPPBKAGINGFCTH-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.70
Rot. Bonds2

About 1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol

1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol (PubChem CID 167868077) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol
PubChem CID167868077
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol
SMILESCCc1c[nH]c2ncnc(N3CC(O)C3)c12
InChIInChI=1S/C11H14N4O/c1-2-7-3-12-10-9(7)11(14-6-13-10)15-4-8(16)5-15/h3,6,8,16H,2,4-5H2,1H3,(H,12,13,14)
InChIKeyVPPBKAGINGFCTH-UHFFFAOYSA-N
XLogP0.70
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol?
The IUPAC name of 1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol (CID 167868077) is 1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol.
What is the SMILES notation for 1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol?
The canonical SMILES for 1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol is CCc1c[nH]c2ncnc(N3CC(O)C3)c12.
What is the InChIKey of 1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol?
The InChIKey is VPPBKAGINGFCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-7-3-12-10-9(7)11(14-6-13-10)15-4-8(16)5-15/h3,6,8,16H,2,4-5H2,1H3,(H,12,13,14).
What are the key properties of 1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol?
1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol has a molecular weight of 218.26 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol is sourced from PubChem (CID 167868077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).