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

C11H13N3O5 — CID 90677901

IUPAC1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1nccc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)ccn12
InChIInChI=1S/C11H13N3O5/c15-5-6-8(16)9(17)10(19-6)13-3-4-14-7(13)1-2-12-11(14)18/h1-4,6,8-10,15-17H,5H2/t6-,8-,9+,10-/m1/s1
InChIKeyUYRYAINJNFUTRK-SFKDOBOXSA-N
MW267.24 g/mol
LogP-1.89
Rot. Bonds2

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

1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one (PubChem CID 90677901) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one
PubChem CID90677901
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1nccc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)ccn12
InChIInChI=1S/C11H13N3O5/c15-5-6-8(16)9(17)10(19-6)13-3-4-14-7(13)1-2-12-11(14)18/h1-4,6,8-10,15-17H,5H2/t6-,8-,9+,10-/m1/s1
InChIKeyUYRYAINJNFUTRK-SFKDOBOXSA-N
XLogP-1.89
TPSA109.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one (CID 90677901) is 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one is O=c1nccc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)ccn12.
What is the InChIKey of 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is UYRYAINJNFUTRK-SFKDOBOXSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-5-6-8(16)9(17)10(19-6)13-3-4-14-7(13)1-2-12-11(14)18/h1-4,6,8-10,15-17H,5H2/t6-,8-,9+,10-/m1/s1.
What are the key properties of 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one?
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 267.24 g/mol, XLogP of -1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 90677901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).