(4R)-2-(4-amino-2-methylidenepyrimidin-3-ium-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

C11H18N3O4+ — CID 58807999

IUPAC(4R)-2-(4-amino-2-methylidenepyrimidin-3-ium-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
SMILESC=C1[NH+]=C(N)C=CN1C1OC(CO)[C@@H](O)C1(C)O
InChIInChI=1S/C11H17N3O4/c1-6-13-8(12)3-4-14(6)10-11(2,17)9(16)7(5-15)18-10/h3-4,7,9-10,15-17H,1,5H2,2H3,(H2,12,13)/p+1/t7?,9-,10?,11?/m1/s1
InChIKeyVDFJCVLFVTWXOX-DOQBQQKUSA-O
MW256.28 g/mol
LogP-3.45
Rot. Bonds2

About (4R)-2-(4-amino-2-methylidenepyrimidin-3-ium-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

(4R)-2-(4-amino-2-methylidenepyrimidin-3-ium-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (PubChem CID 58807999) has the molecular formula C11H18N3O4+ and a molecular weight of 256.28 g/mol. Its IUPAC name is (4R)-2-(4-amino-2-methylidenepyrimidin-3-ium-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(4R)-2-(4-amino-2-methylidenepyrimidin-3-ium-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
PubChem CID58807999
Molecular FormulaC11H18N3O4+
Molecular Weight256.28 g/mol
Exact Mass256.13
IUPAC Name(4R)-2-(4-amino-2-methylidenepyrimidin-3-ium-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
SMILESC=C1[NH+]=C(N)C=CN1C1OC(CO)[C@@H](O)C1(C)O
InChIInChI=1S/C11H17N3O4/c1-6-13-8(12)3-4-14(6)10-11(2,17)9(16)7(5-15)18-10/h3-4,7,9-10,15-17H,1,5H2,2H3,(H2,12,13)/p+1/t7?,9-,10?,11?/m1/s1
InChIKeyVDFJCVLFVTWXOX-DOQBQQKUSA-O
XLogP-3.45
TPSA113.15 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 5-3.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (4R)-2-(4-amino-2-methylidenepyrimidin-3-ium-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one
CID 20810150
5-amino-2-[(3S,4R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1,2,4-triazine-3-thione
CID 160605096
(5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol
CID 157058662
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidin-2-one
CID 121487046
5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]imidazole-4-carboxamide
CID 123674888
(2R,3R,5R)-2-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 90191232
(2R,5R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 70837581
(2R,3S,4R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 124554369
(2R,4S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 59998679
(2R,3R,4R,5R)-2-(benzimidazol-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 10264771
(2R,4R,5R)-4-fluoro-5-[4-(hydroxyamino)-2-methylidenepyrimidin-1-yl]-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 161273709
9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5H-purin-6-one
CID 156588757

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-amino-2-methylidenepyrimidin-3-ium-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The IUPAC name of (4R)-2-(4-amino-2-methylidenepyrimidin-3-ium-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (CID 58807999) is (4R)-2-(4-amino-2-methylidenepyrimidin-3-ium-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.
What is the SMILES notation for (4R)-2-(4-amino-2-methylidenepyrimidin-3-ium-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The canonical SMILES for (4R)-2-(4-amino-2-methylidenepyrimidin-3-ium-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is C=C1[NH+]=C(N)C=CN1C1OC(CO)[C@@H](O)C1(C)O.
What is the InChIKey of (4R)-2-(4-amino-2-methylidenepyrimidin-3-ium-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The InChIKey is VDFJCVLFVTWXOX-DOQBQQKUSA-O. The full InChI is InChI=1S/C11H17N3O4/c1-6-13-8(12)3-4-14(6)10-11(2,17)9(16)7(5-15)18-10/h3-4,7,9-10,15-17H,1,5H2,2H3,(H2,12,13)/p+1/t7?,9-,10?,11?/m1/s1.
What are the key properties of (4R)-2-(4-amino-2-methylidenepyrimidin-3-ium-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
(4R)-2-(4-amino-2-methylidenepyrimidin-3-ium-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol has a molecular weight of 256.28 g/mol, XLogP of -3.45, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-amino-2-methylidenepyrimidin-3-ium-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is sourced from PubChem (CID 58807999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).