4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-6-methylpyrimidin-2-one

C11H17N3O5 — CID 67217143

IUPAC4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-6-methylpyrimidin-2-one
SMILESCc1cc(N)nc(=O)n1[C@@H]1O[C@](C)(CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H17N3O5/c1-5-3-6(12)13-10(18)14(5)9-7(16)8(17)11(2,4-15)19-9/h3,7-9,15-17H,4H2,1-2H3,(H2,12,13,18)/t7-,8+,9-,11-/m1/s1
InChIKeyGLXFNZMXQISIIZ-PKIKSRDPSA-N
MW271.27 g/mol
LogP-1.86
Rot. Bonds2

About 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-6-methylpyrimidin-2-one

4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-6-methylpyrimidin-2-one (PubChem CID 67217143) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-6-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-6-methylpyrimidin-2-one
PubChem CID67217143
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-6-methylpyrimidin-2-one
SMILESCc1cc(N)nc(=O)n1[C@@H]1O[C@](C)(CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H17N3O5/c1-5-3-6(12)13-10(18)14(5)9-7(16)8(17)11(2,4-15)19-9/h3,7-9,15-17H,4H2,1-2H3,(H2,12,13,18)/t7-,8+,9-,11-/m1/s1
InChIKeyGLXFNZMXQISIIZ-PKIKSRDPSA-N
XLogP-1.86
TPSA130.83 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-6-methylpyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-6-methylpyrimidin-2-one (CID 67217143) is 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-6-methylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-6-methylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-6-methylpyrimidin-2-one is Cc1cc(N)nc(=O)n1[C@@H]1O[C@](C)(CO)[C@@H](O)[C@H]1O.
What is the InChIKey of 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-6-methylpyrimidin-2-one?
The InChIKey is GLXFNZMXQISIIZ-PKIKSRDPSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-5-3-6(12)13-10(18)14(5)9-7(16)8(17)11(2,4-15)19-9/h3,7-9,15-17H,4H2,1-2H3,(H2,12,13,18)/t7-,8+,9-,11-/m1/s1.
What are the key properties of 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-6-methylpyrimidin-2-one?
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-6-methylpyrimidin-2-one has a molecular weight of 271.27 g/mol, XLogP of -1.86, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-6-methylpyrimidin-2-one is sourced from PubChem (CID 67217143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).