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

C23H23N5O3 — CID 10645621

IUPAC(2R,3S,4R,5R)-2-(aminomethyl)-5-(4-anilino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
SMILESNC[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C23H23N5O3/c24-11-17-19(29)20(30)23(31-17)28-12-16(14-7-3-1-4-8-14)18-21(25-13-26-22(18)28)27-15-9-5-2-6-10-15/h1-10,12-13,17,19-20,23,29-30H,11,24H2,(H,25,26,27)/t17-,19-,20-,23-/m1/s1
InChIKeyBWNFRRROBVAMGH-ZDXOVATRSA-N
MW417.47 g/mol
LogP2.42
Rot. Bonds5

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

(2R,3S,4R,5R)-2-(aminomethyl)-5-(4-anilino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol (PubChem CID 10645621) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(aminomethyl)-5-(4-anilino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(aminomethyl)-5-(4-anilino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
PubChem CID10645621
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name(2R,3S,4R,5R)-2-(aminomethyl)-5-(4-anilino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
SMILESNC[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C23H23N5O3/c24-11-17-19(29)20(30)23(31-17)28-12-16(14-7-3-1-4-8-14)18-21(25-13-26-22(18)28)27-15-9-5-2-6-10-15/h1-10,12-13,17,19-20,23,29-30H,11,24H2,(H,25,26,27)/t17-,19-,20-,23-/m1/s1
InChIKeyBWNFRRROBVAMGH-ZDXOVATRSA-N
XLogP2.42
TPSA118.45 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2R,3S,4R,5R)-2-(aminomethyl)-5-(4-anilino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(aminomethyl)-5-(4-anilino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-2-(aminomethyl)-5-(4-anilino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol (CID 10645621) is (2R,3S,4R,5R)-2-(aminomethyl)-5-(4-anilino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(aminomethyl)-5-(4-anilino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-2-(aminomethyl)-5-(4-anilino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol is NC[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-(aminomethyl)-5-(4-anilino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
The InChIKey is BWNFRRROBVAMGH-ZDXOVATRSA-N. The full InChI is InChI=1S/C23H23N5O3/c24-11-17-19(29)20(30)23(31-17)28-12-16(14-7-3-1-4-8-14)18-21(25-13-26-22(18)28)27-15-9-5-2-6-10-15/h1-10,12-13,17,19-20,23,29-30H,11,24H2,(H,25,26,27)/t17-,19-,20-,23-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(aminomethyl)-5-(4-anilino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
(2R,3S,4R,5R)-2-(aminomethyl)-5-(4-anilino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol has a molecular weight of 417.47 g/mol, XLogP of 2.42, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(aminomethyl)-5-(4-anilino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol is sourced from PubChem (CID 10645621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).