3-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)oxetan-3-ol

C10H10ClN3O2 — CID 169213116

IUPAC3-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)oxetan-3-ol
SMILESCn1cc(C2(O)COC2)c2c(Cl)ncnc21
InChIInChI=1S/C10H10ClN3O2/c1-14-2-6(10(15)3-16-4-10)7-8(11)12-5-13-9(7)14/h2,5,15H,3-4H2,1H3
InChIKeyUXDMSOLKSDBWGN-UHFFFAOYSA-N
MW239.66 g/mol
LogP0.84
Rot. Bonds1

About 3-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)oxetan-3-ol

3-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)oxetan-3-ol (PubChem CID 169213116) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 3-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)oxetan-3-ol.

Molecular Properties

Compound Name3-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)oxetan-3-ol
PubChem CID169213116
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name3-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)oxetan-3-ol
SMILESCn1cc(C2(O)COC2)c2c(Cl)ncnc21
InChIInChI=1S/C10H10ClN3O2/c1-14-2-6(10(15)3-16-4-10)7-8(11)12-5-13-9(7)14/h2,5,15H,3-4H2,1H3
InChIKeyUXDMSOLKSDBWGN-UHFFFAOYSA-N
XLogP0.84
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)oxetan-3-ol?
The IUPAC name of 3-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)oxetan-3-ol (CID 169213116) is 3-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)oxetan-3-ol.
What is the SMILES notation for 3-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)oxetan-3-ol?
The canonical SMILES for 3-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)oxetan-3-ol is Cn1cc(C2(O)COC2)c2c(Cl)ncnc21.
What is the InChIKey of 3-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)oxetan-3-ol?
The InChIKey is UXDMSOLKSDBWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-14-2-6(10(15)3-16-4-10)7-8(11)12-5-13-9(7)14/h2,5,15H,3-4H2,1H3.
What are the key properties of 3-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)oxetan-3-ol?
3-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)oxetan-3-ol has a molecular weight of 239.66 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)oxetan-3-ol is sourced from PubChem (CID 169213116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).