(5S,6R)-2-amino-6-(hydroxymethyl)-1,4,5,6-tetrahydropyrimidine-4,5-diol

C5H11N3O3 — CID 10329575

IUPAC(5S,6R)-2-amino-6-(hydroxymethyl)-1,4,5,6-tetrahydropyrimidine-4,5-diol
SMILESNC1=NC(O)[C@@H](O)[C@@H](CO)N1
InChIInChI=1S/C5H11N3O3/c6-5-7-2(1-9)3(10)4(11)8-5/h2-4,9-11H,1H2,(H3,6,7,8)/t2-,3+,4?/m1/s1
InChIKeyJQIGCEOXODOMDN-BCDHYOAOSA-N
MW161.16 g/mol
LogP-3.06
Rot. Bonds1

About (5S,6R)-2-amino-6-(hydroxymethyl)-1,4,5,6-tetrahydropyrimidine-4,5-diol

(5S,6R)-2-amino-6-(hydroxymethyl)-1,4,5,6-tetrahydropyrimidine-4,5-diol (PubChem CID 10329575) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is (5S,6R)-2-amino-6-(hydroxymethyl)-1,4,5,6-tetrahydropyrimidine-4,5-diol.

Molecular Properties

Compound Name(5S,6R)-2-amino-6-(hydroxymethyl)-1,4,5,6-tetrahydropyrimidine-4,5-diol
PubChem CID10329575
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name(5S,6R)-2-amino-6-(hydroxymethyl)-1,4,5,6-tetrahydropyrimidine-4,5-diol
SMILESNC1=NC(O)[C@@H](O)[C@@H](CO)N1
InChIInChI=1S/C5H11N3O3/c6-5-7-2(1-9)3(10)4(11)8-5/h2-4,9-11H,1H2,(H3,6,7,8)/t2-,3+,4?/m1/s1
InChIKeyJQIGCEOXODOMDN-BCDHYOAOSA-N
XLogP-3.06
TPSA111.10 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-3.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-2-amino-6-(hydroxymethyl)-1,4,5,6-tetrahydropyrimidine-4,5-diol?
The IUPAC name of (5S,6R)-2-amino-6-(hydroxymethyl)-1,4,5,6-tetrahydropyrimidine-4,5-diol (CID 10329575) is (5S,6R)-2-amino-6-(hydroxymethyl)-1,4,5,6-tetrahydropyrimidine-4,5-diol.
What is the SMILES notation for (5S,6R)-2-amino-6-(hydroxymethyl)-1,4,5,6-tetrahydropyrimidine-4,5-diol?
The canonical SMILES for (5S,6R)-2-amino-6-(hydroxymethyl)-1,4,5,6-tetrahydropyrimidine-4,5-diol is NC1=NC(O)[C@@H](O)[C@@H](CO)N1.
What is the InChIKey of (5S,6R)-2-amino-6-(hydroxymethyl)-1,4,5,6-tetrahydropyrimidine-4,5-diol?
The InChIKey is JQIGCEOXODOMDN-BCDHYOAOSA-N. The full InChI is InChI=1S/C5H11N3O3/c6-5-7-2(1-9)3(10)4(11)8-5/h2-4,9-11H,1H2,(H3,6,7,8)/t2-,3+,4?/m1/s1.
What are the key properties of (5S,6R)-2-amino-6-(hydroxymethyl)-1,4,5,6-tetrahydropyrimidine-4,5-diol?
(5S,6R)-2-amino-6-(hydroxymethyl)-1,4,5,6-tetrahydropyrimidine-4,5-diol has a molecular weight of 161.16 g/mol, XLogP of -3.06, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-2-amino-6-(hydroxymethyl)-1,4,5,6-tetrahydropyrimidine-4,5-diol is sourced from PubChem (CID 10329575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).