(5R,6R,7R,8S)-5-(hydroxymethyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol

C10H16N2O3 — CID 71260895

IUPAC(5R,6R,7R,8S)-5-(hydroxymethyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol
SMILESCc1cn2c(n1)[C@H](C)[C@@H](O)[C@H](O)[C@H]2CO
InChIInChI=1S/C10H16N2O3/c1-5-3-12-7(4-13)9(15)8(14)6(2)10(12)11-5/h3,6-9,13-15H,4H2,1-2H3/t6-,7-,8-,9-/m1/s1
InChIKeyWCWVWDLVUNOEQE-FNCVBFRFSA-N
MW212.25 g/mol
LogP-0.44
Rot. Bonds1

About (5R,6R,7R,8S)-5-(hydroxymethyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol

(5R,6R,7R,8S)-5-(hydroxymethyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol (PubChem CID 71260895) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (5R,6R,7R,8S)-5-(hydroxymethyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol.

Molecular Properties

Compound Name(5R,6R,7R,8S)-5-(hydroxymethyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol
PubChem CID71260895
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(5R,6R,7R,8S)-5-(hydroxymethyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol
SMILESCc1cn2c(n1)[C@H](C)[C@@H](O)[C@H](O)[C@H]2CO
InChIInChI=1S/C10H16N2O3/c1-5-3-12-7(4-13)9(15)8(14)6(2)10(12)11-5/h3,6-9,13-15H,4H2,1-2H3/t6-,7-,8-,9-/m1/s1
InChIKeyWCWVWDLVUNOEQE-FNCVBFRFSA-N
XLogP-0.44
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,6R,7R,8S)-5-(hydroxymethyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol?
The IUPAC name of (5R,6R,7R,8S)-5-(hydroxymethyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol (CID 71260895) is (5R,6R,7R,8S)-5-(hydroxymethyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol.
What is the SMILES notation for (5R,6R,7R,8S)-5-(hydroxymethyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol?
The canonical SMILES for (5R,6R,7R,8S)-5-(hydroxymethyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol is Cc1cn2c(n1)[C@H](C)[C@@H](O)[C@H](O)[C@H]2CO.
What is the InChIKey of (5R,6R,7R,8S)-5-(hydroxymethyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol?
The InChIKey is WCWVWDLVUNOEQE-FNCVBFRFSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5-3-12-7(4-13)9(15)8(14)6(2)10(12)11-5/h3,6-9,13-15H,4H2,1-2H3/t6-,7-,8-,9-/m1/s1.
What are the key properties of (5R,6R,7R,8S)-5-(hydroxymethyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol?
(5R,6R,7R,8S)-5-(hydroxymethyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol has a molecular weight of 212.25 g/mol, XLogP of -0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,7R,8S)-5-(hydroxymethyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol is sourced from PubChem (CID 71260895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).