(2R,3S,4R,5R)-2-methyl-5-(2-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol

C17H17N3O3 — CID 67639730

IUPAC(2R,3S,4R,5R)-2-methyl-5-(2-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
SMILESC[C@H]1O[C@@H](n2ccc3cnc(-c4ccccc4)nc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C17H17N3O3/c1-10-13(21)14(22)17(23-10)20-8-7-12-9-18-15(19-16(12)20)11-5-3-2-4-6-11/h2-10,13-14,17,21-22H,1H3/t10-,13-,14-,17-/m1/s1
InChIKeyDLBYNSRIEQGNKG-IWCJZZDYSA-N
MW311.34 g/mol
LogP1.74
Rot. Bonds2

About (2R,3S,4R,5R)-2-methyl-5-(2-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol

(2R,3S,4R,5R)-2-methyl-5-(2-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol (PubChem CID 67639730) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-methyl-5-(2-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-methyl-5-(2-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
PubChem CID67639730
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name(2R,3S,4R,5R)-2-methyl-5-(2-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
SMILESC[C@H]1O[C@@H](n2ccc3cnc(-c4ccccc4)nc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C17H17N3O3/c1-10-13(21)14(22)17(23-10)20-8-7-12-9-18-15(19-16(12)20)11-5-3-2-4-6-11/h2-10,13-14,17,21-22H,1H3/t10-,13-,14-,17-/m1/s1
InChIKeyDLBYNSRIEQGNKG-IWCJZZDYSA-N
XLogP1.74
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-methyl-5-(2-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-2-methyl-5-(2-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol (CID 67639730) is (2R,3S,4R,5R)-2-methyl-5-(2-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-2-methyl-5-(2-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-2-methyl-5-(2-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol is C[C@H]1O[C@@H](n2ccc3cnc(-c4ccccc4)nc32)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-methyl-5-(2-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
The InChIKey is DLBYNSRIEQGNKG-IWCJZZDYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10-13(21)14(22)17(23-10)20-8-7-12-9-18-15(19-16(12)20)11-5-3-2-4-6-11/h2-10,13-14,17,21-22H,1H3/t10-,13-,14-,17-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-methyl-5-(2-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
(2R,3S,4R,5R)-2-methyl-5-(2-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol has a molecular weight of 311.34 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-methyl-5-(2-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol is sourced from PubChem (CID 67639730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).