4-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

C15H15N5O — CID 163357013

IUPAC4-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1cncc(OCC2CN(c3ncnc4[nH]ccc34)C2)c1
InChIInChI=1S/C15H15N5O/c1-2-12(6-16-4-1)21-9-11-7-20(8-11)15-13-3-5-17-14(13)18-10-19-15/h1-6,10-11H,7-9H2,(H,17,18,19)
InChIKeyQHRAKAFXAKBIOL-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.87
Rot. Bonds4

About 4-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

4-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 163357013) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID163357013
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1cncc(OCC2CN(c3ncnc4[nH]ccc34)C2)c1
InChIInChI=1S/C15H15N5O/c1-2-12(6-16-4-1)21-9-11-7-20(8-11)15-13-3-5-17-14(13)18-10-19-15/h1-6,10-11H,7-9H2,(H,17,18,19)
InChIKeyQHRAKAFXAKBIOL-UHFFFAOYSA-N
XLogP1.87
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 163357013) is 4-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is c1cncc(OCC2CN(c3ncnc4[nH]ccc34)C2)c1.
What is the InChIKey of 4-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is QHRAKAFXAKBIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-12(6-16-4-1)21-9-11-7-20(8-11)15-13-3-5-17-14(13)18-10-19-15/h1-6,10-11H,7-9H2,(H,17,18,19).
What are the key properties of 4-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
4-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 281.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 163357013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).