7-[(2R,5S)-5-(quinolin-3-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine

C20H19N5O2 — CID 166776309

IUPAC7-[(2R,5S)-5-(quinolin-3-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1ccn2[C@H]1CC[C@@H](COc2cnc3ccccc3c2)O1
InChIInChI=1S/C20H19N5O2/c21-19-16-7-8-25(20(16)24-12-23-19)18-6-5-14(27-18)11-26-15-9-13-3-1-2-4-17(13)22-10-15/h1-4,7-10,12,14,18H,5-6,11H2,(H2,21,23,24)/t14-,18+/m0/s1
InChIKeyOENGSTQDKFRODL-KBXCAEBGSA-N
MW361.41 g/mol
LogP3.32
Rot. Bonds4

About 7-[(2R,5S)-5-(quinolin-3-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine

7-[(2R,5S)-5-(quinolin-3-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 166776309) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 7-[(2R,5S)-5-(quinolin-3-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[(2R,5S)-5-(quinolin-3-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID166776309
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name7-[(2R,5S)-5-(quinolin-3-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1ccn2[C@H]1CC[C@@H](COc2cnc3ccccc3c2)O1
InChIInChI=1S/C20H19N5O2/c21-19-16-7-8-25(20(16)24-12-23-19)18-6-5-14(27-18)11-26-15-9-13-3-1-2-4-17(13)22-10-15/h1-4,7-10,12,14,18H,5-6,11H2,(H2,21,23,24)/t14-,18+/m0/s1
InChIKeyOENGSTQDKFRODL-KBXCAEBGSA-N
XLogP3.32
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(2R,5S)-5-(quinolin-3-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[(2R,5S)-5-(quinolin-3-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 166776309) is 7-[(2R,5S)-5-(quinolin-3-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[(2R,5S)-5-(quinolin-3-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[(2R,5S)-5-(quinolin-3-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1ccn2[C@H]1CC[C@@H](COc2cnc3ccccc3c2)O1.
What is the InChIKey of 7-[(2R,5S)-5-(quinolin-3-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OENGSTQDKFRODL-KBXCAEBGSA-N. The full InChI is InChI=1S/C20H19N5O2/c21-19-16-7-8-25(20(16)24-12-23-19)18-6-5-14(27-18)11-26-15-9-13-3-1-2-4-17(13)22-10-15/h1-4,7-10,12,14,18H,5-6,11H2,(H2,21,23,24)/t14-,18+/m0/s1.
What are the key properties of 7-[(2R,5S)-5-(quinolin-3-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-[(2R,5S)-5-(quinolin-3-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 361.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,5S)-5-(quinolin-3-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166776309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).