6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylimidazo[1,2-c]pyrimidin-5-one

C12H15N3O5 — CID 5272203

IUPAC6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylimidazo[1,2-c]pyrimidin-5-one
SMILESCc1cn2c(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc2n1
InChIInChI=1S/C12H15N3O5/c1-6-4-15-8(13-6)2-3-14(12(15)19)11-10(18)9(17)7(5-16)20-11/h2-4,7,9-11,16-18H,5H2,1H3/t7-,9-,10-,11-/m1/s1
InChIKeyVJZGVZAFXWSLQT-QCNRFFRDSA-N
MW281.27 g/mol
LogP-1.58
Rot. Bonds2

About 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylimidazo[1,2-c]pyrimidin-5-one

6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylimidazo[1,2-c]pyrimidin-5-one (PubChem CID 5272203) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylimidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylimidazo[1,2-c]pyrimidin-5-one
PubChem CID5272203
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylimidazo[1,2-c]pyrimidin-5-one
SMILESCc1cn2c(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc2n1
InChIInChI=1S/C12H15N3O5/c1-6-4-15-8(13-6)2-3-14(12(15)19)11-10(18)9(17)7(5-16)20-11/h2-4,7,9-11,16-18H,5H2,1H3/t7-,9-,10-,11-/m1/s1
InChIKeyVJZGVZAFXWSLQT-QCNRFFRDSA-N
XLogP-1.58
TPSA109.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylimidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylimidazo[1,2-c]pyrimidin-5-one (CID 5272203) is 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylimidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylimidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylimidazo[1,2-c]pyrimidin-5-one is Cc1cn2c(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc2n1.
What is the InChIKey of 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylimidazo[1,2-c]pyrimidin-5-one?
The InChIKey is VJZGVZAFXWSLQT-QCNRFFRDSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-6-4-15-8(13-6)2-3-14(12(15)19)11-10(18)9(17)7(5-16)20-11/h2-4,7,9-11,16-18H,5H2,1H3/t7-,9-,10-,11-/m1/s1.
What are the key properties of 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylimidazo[1,2-c]pyrimidin-5-one?
6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylimidazo[1,2-c]pyrimidin-5-one has a molecular weight of 281.27 g/mol, XLogP of -1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylimidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 5272203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).