(2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol

C9H14N4O3 — CID 46242438

IUPAC(2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncc([C@H]2C[C@H](O)[C@@H](CO)O2)c(N)n1
InChIInChI=1S/C9H14N4O3/c10-8-4(2-12-9(11)13-8)6-1-5(15)7(3-14)16-6/h2,5-7,14-15H,1,3H2,(H4,10,11,12,13)/t5-,6+,7+/m0/s1
InChIKeyVSQSADVJXZEVAY-RRKCRQDMSA-N
MW226.24 g/mol
LogP-1.18
Rot. Bonds2

About (2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 46242438) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is (2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID46242438
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name(2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncc([C@H]2C[C@H](O)[C@@H](CO)O2)c(N)n1
InChIInChI=1S/C9H14N4O3/c10-8-4(2-12-9(11)13-8)6-1-5(15)7(3-14)16-6/h2,5-7,14-15H,1,3H2,(H4,10,11,12,13)/t5-,6+,7+/m0/s1
InChIKeyVSQSADVJXZEVAY-RRKCRQDMSA-N
XLogP-1.18
TPSA127.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol 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

(2R,3S,5R)-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 130373586
(2R,3S,5S)-5-(2-aminopurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 102301563
(2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 66870779
(3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 174024474
(2R,3S,5R)-5-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 512707
(2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trimethylphenyl)oxolan-3-ol
CID 102506290
(2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
CID 71762520
6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
CID 90963679
(2R,3S,5S)-5-(6-bromo-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
CID 139054704
8-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 170585238
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,3,5-triazin-2-one
CID 76973346
2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
CID 67354949

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 46242438) is (2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol is Nc1ncc([C@H]2C[C@H](O)[C@@H](CO)O2)c(N)n1.
What is the InChIKey of (2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is VSQSADVJXZEVAY-RRKCRQDMSA-N. The full InChI is InChI=1S/C9H14N4O3/c10-8-4(2-12-9(11)13-8)6-1-5(15)7(3-14)16-6/h2,5-7,14-15H,1,3H2,(H4,10,11,12,13)/t5-,6+,7+/m0/s1.
What are the key properties of (2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 226.24 g/mol, XLogP of -1.18, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 46242438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).