7-[(2R,3S,4R)-3-fluoro-4-methyl-5-methylideneoxolan-2-yl]-4-methylpyrrolo[2,3-d]pyrimidine

C13H14FN3O — CID 58041621

IUPAC7-[(2R,3S,4R)-3-fluoro-4-methyl-5-methylideneoxolan-2-yl]-4-methylpyrrolo[2,3-d]pyrimidine
SMILESC=C1O[C@@H](n2ccc3c(C)ncnc32)[C@@H](F)[C@@H]1C
InChIInChI=1S/C13H14FN3O/c1-7-9(3)18-13(11(7)14)17-5-4-10-8(2)15-6-16-12(10)17/h4-7,11,13H,3H2,1-2H3/t7-,11+,13-/m1/s1
InChIKeyJWRMHYIFGWGORB-BITCUVMXSA-N
MW247.27 g/mol
LogP2.76
Rot. Bonds1

About 7-[(2R,3S,4R)-3-fluoro-4-methyl-5-methylideneoxolan-2-yl]-4-methylpyrrolo[2,3-d]pyrimidine

7-[(2R,3S,4R)-3-fluoro-4-methyl-5-methylideneoxolan-2-yl]-4-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 58041621) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 7-[(2R,3S,4R)-3-fluoro-4-methyl-5-methylideneoxolan-2-yl]-4-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-[(2R,3S,4R)-3-fluoro-4-methyl-5-methylideneoxolan-2-yl]-4-methylpyrrolo[2,3-d]pyrimidine
PubChem CID58041621
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name7-[(2R,3S,4R)-3-fluoro-4-methyl-5-methylideneoxolan-2-yl]-4-methylpyrrolo[2,3-d]pyrimidine
SMILESC=C1O[C@@H](n2ccc3c(C)ncnc32)[C@@H](F)[C@@H]1C
InChIInChI=1S/C13H14FN3O/c1-7-9(3)18-13(11(7)14)17-5-4-10-8(2)15-6-16-12(10)17/h4-7,11,13H,3H2,1-2H3/t7-,11+,13-/m1/s1
InChIKeyJWRMHYIFGWGORB-BITCUVMXSA-N
XLogP2.76
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(2R,3S,4R)-3-fluoro-4-methyl-5-methylideneoxolan-2-yl]-4-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-[(2R,3S,4R)-3-fluoro-4-methyl-5-methylideneoxolan-2-yl]-4-methylpyrrolo[2,3-d]pyrimidine (CID 58041621) is 7-[(2R,3S,4R)-3-fluoro-4-methyl-5-methylideneoxolan-2-yl]-4-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-[(2R,3S,4R)-3-fluoro-4-methyl-5-methylideneoxolan-2-yl]-4-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-[(2R,3S,4R)-3-fluoro-4-methyl-5-methylideneoxolan-2-yl]-4-methylpyrrolo[2,3-d]pyrimidine is C=C1O[C@@H](n2ccc3c(C)ncnc32)[C@@H](F)[C@@H]1C.
What is the InChIKey of 7-[(2R,3S,4R)-3-fluoro-4-methyl-5-methylideneoxolan-2-yl]-4-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is JWRMHYIFGWGORB-BITCUVMXSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-7-9(3)18-13(11(7)14)17-5-4-10-8(2)15-6-16-12(10)17/h4-7,11,13H,3H2,1-2H3/t7-,11+,13-/m1/s1.
What are the key properties of 7-[(2R,3S,4R)-3-fluoro-4-methyl-5-methylideneoxolan-2-yl]-4-methylpyrrolo[2,3-d]pyrimidine?
7-[(2R,3S,4R)-3-fluoro-4-methyl-5-methylideneoxolan-2-yl]-4-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 247.27 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,3S,4R)-3-fluoro-4-methyl-5-methylideneoxolan-2-yl]-4-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 58041621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).