(3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol

C11H14N4O2 — CID 79420023

IUPAC(3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(Cc2cn3cccnc3n2)C[C@@H]1O
InChIInChI=1S/C11H14N4O2/c16-9-6-14(7-10(9)17)4-8-5-15-3-1-2-12-11(15)13-8/h1-3,5,9-10,16-17H,4,6-7H2/t9-,10+
InChIKeyRTIUDIBWWILNCC-AOOOYVTPSA-N
MW234.26 g/mol
LogP-0.73
Rot. Bonds2

About (3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol

(3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol (PubChem CID 79420023) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is (3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol
PubChem CID79420023
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name(3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(Cc2cn3cccnc3n2)C[C@@H]1O
InChIInChI=1S/C11H14N4O2/c16-9-6-14(7-10(9)17)4-8-5-15-3-1-2-12-11(15)13-8/h1-3,5,9-10,16-17H,4,6-7H2/t9-,10+
InChIKeyRTIUDIBWWILNCC-AOOOYVTPSA-N
XLogP-0.73
TPSA73.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol
CID 103897986
[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol
CID 60966758
2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 43162352
2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 65450164
[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779767
[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride
CID 120966937
methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate
CID 78920324
2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 120967196
2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 120966976
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3-dimethylpiperidin-4-amine
CID 120967338
ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate
CID 23962454
2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 154801096

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol (CID 79420023) is (3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol is O[C@@H]1CN(Cc2cn3cccnc3n2)C[C@@H]1O.
What is the InChIKey of (3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol?
The InChIKey is RTIUDIBWWILNCC-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H14N4O2/c16-9-6-14(7-10(9)17)4-8-5-15-3-1-2-12-11(15)13-8/h1-3,5,9-10,16-17H,4,6-7H2/t9-,10+.
What are the key properties of (3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol?
(3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol has a molecular weight of 234.26 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 79420023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).