(3R,4S,5R)-2-(4-amino-2H-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C8H14N4O4 — CID 54568488

IUPAC(3R,4S,5R)-2-(4-amino-2H-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNC1=NCN(C2O[C@H](CO)[C@@H](O)[C@H]2O)C=N1
InChIInChI=1S/C8H14N4O4/c9-8-10-2-12(3-11-8)7-6(15)5(14)4(1-13)16-7/h2,4-7,13-15H,1,3H2,(H2,9,11)/t4-,5-,6-,7?/m1/s1
InChIKeyZVNOPZQJYFRKFB-RKEPMNIXSA-N
MW230.22 g/mol
LogP-2.96
Rot. Bonds2

About (3R,4S,5R)-2-(4-amino-2H-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(3R,4S,5R)-2-(4-amino-2H-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 54568488) has the molecular formula C8H14N4O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is (3R,4S,5R)-2-(4-amino-2H-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5R)-2-(4-amino-2H-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID54568488
Molecular FormulaC8H14N4O4
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name(3R,4S,5R)-2-(4-amino-2H-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNC1=NCN(C2O[C@H](CO)[C@@H](O)[C@H]2O)C=N1
InChIInChI=1S/C8H14N4O4/c9-8-10-2-12(3-11-8)7-6(15)5(14)4(1-13)16-7/h2,4-7,13-15H,1,3H2,(H2,9,11)/t4-,5-,6-,7?/m1/s1
InChIKeyZVNOPZQJYFRKFB-RKEPMNIXSA-N
XLogP-2.96
TPSA123.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-2.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3S,4S,5R)-2-(6-amino-4H-pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 67605890
(2R,3R,5S)-2-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 174094042
(2R,3R,5R)-2-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 174094040
6-amino-3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one
CID 71300405
(2R,3R,4S,5R)-2-(5-aminoimidazol-1-yl)-5-(hydroxymethyl)(313C)oxolane-3,4-diol
CID 11401650
(2S,3S,4S,5R)-2-(2-aminoimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 45093396
(2R,3R,4S,5R)-2-(5,6-diamino-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 67350682
2-amino-8-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one
CID 92529200
2-(6-amino-3-methyl-4H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 77151545
2-amino-9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-purin-6-one
CID 91668485
4,6-diamino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71410161
(2R,3R,4S,5R)-2-(6-amino-4,5-dihydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11254204

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2-(4-amino-2H-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (3R,4S,5R)-2-(4-amino-2H-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 54568488) is (3R,4S,5R)-2-(4-amino-2H-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (3R,4S,5R)-2-(4-amino-2H-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (3R,4S,5R)-2-(4-amino-2H-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol is NC1=NCN(C2O[C@H](CO)[C@@H](O)[C@H]2O)C=N1.
What is the InChIKey of (3R,4S,5R)-2-(4-amino-2H-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is ZVNOPZQJYFRKFB-RKEPMNIXSA-N. The full InChI is InChI=1S/C8H14N4O4/c9-8-10-2-12(3-11-8)7-6(15)5(14)4(1-13)16-7/h2,4-7,13-15H,1,3H2,(H2,9,11)/t4-,5-,6-,7?/m1/s1.
What are the key properties of (3R,4S,5R)-2-(4-amino-2H-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(3R,4S,5R)-2-(4-amino-2H-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 230.22 g/mol, XLogP of -2.96, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-2-(4-amino-2H-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 54568488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).