[5-[4-amino-5-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol

C19H22N4O2 — CID 142559976

IUPAC[5-[4-amino-5-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol
SMILESNc1ncnc2c1c(CCc1ccccc1)cn2C1CCC(CO)O1
InChIInChI=1S/C19H22N4O2/c20-18-17-14(7-6-13-4-2-1-3-5-13)10-23(19(17)22-12-21-18)16-9-8-15(11-24)25-16/h1-5,10,12,15-16,24H,6-9,11H2,(H2,20,21,22)
InChIKeyWCBUCUILRHMQBJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.47
Rot. Bonds5

About [5-[4-amino-5-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol

[5-[4-amino-5-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol (PubChem CID 142559976) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [5-[4-amino-5-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-amino-5-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol
PubChem CID142559976
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name[5-[4-amino-5-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol
SMILESNc1ncnc2c1c(CCc1ccccc1)cn2C1CCC(CO)O1
InChIInChI=1S/C19H22N4O2/c20-18-17-14(7-6-13-4-2-1-3-5-13)10-23(19(17)22-12-21-18)16-9-8-15(11-24)25-16/h1-5,10,12,15-16,24H,6-9,11H2,(H2,20,21,22)
InChIKeyWCBUCUILRHMQBJ-UHFFFAOYSA-N
XLogP2.47
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-[4-amino-5-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol with MolForge

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Related Compounds

[(2S,5R)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol;ethane
CID 145263983
[5-(4-amino-5-ethynylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
CID 142559953
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
CID 165130368
[(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142470459
[5-[4-amino-5-(aminomethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-prop-2-enoxyoxolan-2-yl]methanol
CID 89040256
6-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione
CID 14889121
(2R,3S,5R)-5-[4-amino-5-(2-phenylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 15289169
[(2S,5R)-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol
CID 135258315
5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137299823
4-amino-7-[(2R,3S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CID 142834340
[(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 67868000

Frequently Asked Questions

What is the IUPAC name of [5-[4-amino-5-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol?
The IUPAC name of [5-[4-amino-5-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol (CID 142559976) is [5-[4-amino-5-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol.
What is the SMILES notation for [5-[4-amino-5-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol?
The canonical SMILES for [5-[4-amino-5-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol is Nc1ncnc2c1c(CCc1ccccc1)cn2C1CCC(CO)O1.
What is the InChIKey of [5-[4-amino-5-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol?
The InChIKey is WCBUCUILRHMQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c20-18-17-14(7-6-13-4-2-1-3-5-13)10-23(19(17)22-12-21-18)16-9-8-15(11-24)25-16/h1-5,10,12,15-16,24H,6-9,11H2,(H2,20,21,22).
What are the key properties of [5-[4-amino-5-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol?
[5-[4-amino-5-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol has a molecular weight of 338.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-amino-5-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol is sourced from PubChem (CID 142559976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).