[5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dimethyloxolan-2-yl]-(4-fluorophenyl)methanol

C21H24FN3O2 — CID 122522349

IUPAC[5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dimethyloxolan-2-yl]-(4-fluorophenyl)methanol
SMILESCc1nc(C)c2ccn(C3OC(C(O)c4ccc(F)cc4)C(C)C3C)c2n1
InChIInChI=1S/C21H24FN3O2/c1-11-12(2)21(25-10-9-17-13(3)23-14(4)24-20(17)25)27-19(11)18(26)15-5-7-16(22)8-6-15/h5-12,18-19,21,26H,1-4H3
InChIKeyDGAHSDMMSKRHMY-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.09
Rot. Bonds3

About [5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dimethyloxolan-2-yl]-(4-fluorophenyl)methanol

[5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dimethyloxolan-2-yl]-(4-fluorophenyl)methanol (PubChem CID 122522349) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is [5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dimethyloxolan-2-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dimethyloxolan-2-yl]-(4-fluorophenyl)methanol
PubChem CID122522349
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name[5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dimethyloxolan-2-yl]-(4-fluorophenyl)methanol
SMILESCc1nc(C)c2ccn(C3OC(C(O)c4ccc(F)cc4)C(C)C3C)c2n1
InChIInChI=1S/C21H24FN3O2/c1-11-12(2)21(25-10-9-17-13(3)23-14(4)24-20(17)25)27-19(11)18(26)15-5-7-16(22)8-6-15/h5-12,18-19,21,26H,1-4H3
InChIKeyDGAHSDMMSKRHMY-UHFFFAOYSA-N
XLogP4.09
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dimethyloxolan-2-yl]-(4-fluorophenyl)methanol?
The IUPAC name of [5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dimethyloxolan-2-yl]-(4-fluorophenyl)methanol (CID 122522349) is [5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dimethyloxolan-2-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dimethyloxolan-2-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for [5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dimethyloxolan-2-yl]-(4-fluorophenyl)methanol is Cc1nc(C)c2ccn(C3OC(C(O)c4ccc(F)cc4)C(C)C3C)c2n1.
What is the InChIKey of [5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dimethyloxolan-2-yl]-(4-fluorophenyl)methanol?
The InChIKey is DGAHSDMMSKRHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-11-12(2)21(25-10-9-17-13(3)23-14(4)24-20(17)25)27-19(11)18(26)15-5-7-16(22)8-6-15/h5-12,18-19,21,26H,1-4H3.
What are the key properties of [5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dimethyloxolan-2-yl]-(4-fluorophenyl)methanol?
[5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dimethyloxolan-2-yl]-(4-fluorophenyl)methanol has a molecular weight of 369.44 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dimethyloxolan-2-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 122522349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).