(2R,3S,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol

C12H15N5O3 — CID 102307356

IUPAC(2R,3S,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncncc1-c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)cn1
InChIInChI=1S/C12H15N5O3/c13-12-7(2-14-5-15-12)8-3-17(6-16-8)11-1-9(19)10(4-18)20-11/h2-3,5-6,9-11,18-19H,1,4H2,(H2,13,14,15)/t9-,10+,11+/m0/s1
InChIKeyQKXAWTDNBNMGQO-HBNTYKKESA-N
MW277.28 g/mol
LogP-0.44
Rot. Bonds3

About (2R,3S,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 102307356) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is (2R,3S,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
PubChem CID102307356
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name(2R,3S,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncncc1-c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)cn1
InChIInChI=1S/C12H15N5O3/c13-12-7(2-14-5-15-12)8-3-17(6-16-8)11-1-9(19)10(4-18)20-11/h2-3,5-6,9-11,18-19H,1,4H2,(H2,13,14,15)/t9-,10+,11+/m0/s1
InChIKeyQKXAWTDNBNMGQO-HBNTYKKESA-N
XLogP-0.44
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 175978301
(2R,3R,4R,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 175978304
(2R,3S,5R)-5-[4-(2-fluoro-3-pyridinyl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 132564643
1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
CID 67312306
(2R,3S)-5-(8-bromopurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 91292674
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2R,3S,5R)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 14188467
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(313C)oxolan-3-ol;hydrate
CID 165412978
5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 72614501
(2S,3R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154810042
6-amino-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
CID 131850230

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol (CID 102307356) is (2R,3S,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol is Nc1ncncc1-c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)cn1.
What is the InChIKey of (2R,3S,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is QKXAWTDNBNMGQO-HBNTYKKESA-N. The full InChI is InChI=1S/C12H15N5O3/c13-12-7(2-14-5-15-12)8-3-17(6-16-8)11-1-9(19)10(4-18)20-11/h2-3,5-6,9-11,18-19H,1,4H2,(H2,13,14,15)/t9-,10+,11+/m0/s1.
What are the key properties of (2R,3S,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 277.28 g/mol, XLogP of -0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 102307356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).