(3R,4R,5R)-2-(2,6-diaminopyrimidin-4-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C9H14N4O4 — CID 56631883

IUPAC(3R,4R,5R)-2-(2,6-diaminopyrimidin-4-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1cc(C2O[C@H](CO)[C@H](O)[C@H]2O)nc(N)n1
InChIInChI=1S/C9H14N4O4/c10-5-1-3(12-9(11)13-5)8-7(16)6(15)4(2-14)17-8/h1,4,6-8,14-16H,2H2,(H4,10,11,12,13)/t4-,6+,7-,8?/m1/s1
InChIKeyHJLMKGRZHQSVOB-RQFJETTJSA-N
MW242.24 g/mol
LogP-2.20
Rot. Bonds2

About (3R,4R,5R)-2-(2,6-diaminopyrimidin-4-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(3R,4R,5R)-2-(2,6-diaminopyrimidin-4-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 56631883) has the molecular formula C9H14N4O4 and a molecular weight of 242.24 g/mol. Its IUPAC name is (3R,4R,5R)-2-(2,6-diaminopyrimidin-4-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5R)-2-(2,6-diaminopyrimidin-4-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID56631883
Molecular FormulaC9H14N4O4
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name(3R,4R,5R)-2-(2,6-diaminopyrimidin-4-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1cc(C2O[C@H](CO)[C@H](O)[C@H]2O)nc(N)n1
InChIInChI=1S/C9H14N4O4/c10-5-1-3(12-9(11)13-5)8-7(16)6(15)4(2-14)17-8/h1,4,6-8,14-16H,2H2,(H4,10,11,12,13)/t4-,6+,7-,8?/m1/s1
InChIKeyHJLMKGRZHQSVOB-RQFJETTJSA-N
XLogP-2.20
TPSA147.74 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 5-2.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

(3R,4R,5S,6R)-2-(2-amino-1,3-thiazol-4-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 88737553
4-amino-6-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one
CID 135818715
2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-4-carboxamide
CID 14844021
2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-4-carboxamide
CID 14844023
(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-indol-2-yl)oxolane-3,4-diol
CID 11736785
(3R,4S,5R)-2-(5-amino-1H-imidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 67171845
4,6-diamino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71410161
5-amino-3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
CID 135011179
2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol
CID 20513127
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
(2S,3R,4R,5S)-2-(4-chlorophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 175028100
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[4-[4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-1-yl]phenyl]oxane-3,4,5-triol
CID 90354617

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-2-(2,6-diaminopyrimidin-4-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (3R,4R,5R)-2-(2,6-diaminopyrimidin-4-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 56631883) is (3R,4R,5R)-2-(2,6-diaminopyrimidin-4-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (3R,4R,5R)-2-(2,6-diaminopyrimidin-4-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (3R,4R,5R)-2-(2,6-diaminopyrimidin-4-yl)-5-(hydroxymethyl)oxolane-3,4-diol is Nc1cc(C2O[C@H](CO)[C@H](O)[C@H]2O)nc(N)n1.
What is the InChIKey of (3R,4R,5R)-2-(2,6-diaminopyrimidin-4-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is HJLMKGRZHQSVOB-RQFJETTJSA-N. The full InChI is InChI=1S/C9H14N4O4/c10-5-1-3(12-9(11)13-5)8-7(16)6(15)4(2-14)17-8/h1,4,6-8,14-16H,2H2,(H4,10,11,12,13)/t4-,6+,7-,8?/m1/s1.
What are the key properties of (3R,4R,5R)-2-(2,6-diaminopyrimidin-4-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(3R,4R,5R)-2-(2,6-diaminopyrimidin-4-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 242.24 g/mol, XLogP of -2.20, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-2-(2,6-diaminopyrimidin-4-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 56631883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).