2-[(3R,4S)-3-[[6-(methoxymethyl)pyrimidin-4-yl]amino]oxan-4-yl]oxyethanol

C13H21N3O4 — CID 91773222

IUPAC2-[(3R,4S)-3-[[6-(methoxymethyl)pyrimidin-4-yl]amino]oxan-4-yl]oxyethanol
SMILESCOCc1cc(N[C@@H]2COCC[C@@H]2OCCO)ncn1
InChIInChI=1S/C13H21N3O4/c1-18-7-10-6-13(15-9-14-10)16-11-8-19-4-2-12(11)20-5-3-17/h6,9,11-12,17H,2-5,7-8H2,1H3,(H,14,15,16)/t11-,12+/m1/s1
InChIKeyUOUCNRRLWITVNG-NEPJUHHUSA-N
MW283.33 g/mol
LogP0.20
Rot. Bonds7

About 2-[(3R,4S)-3-[[6-(methoxymethyl)pyrimidin-4-yl]amino]oxan-4-yl]oxyethanol

2-[(3R,4S)-3-[[6-(methoxymethyl)pyrimidin-4-yl]amino]oxan-4-yl]oxyethanol (PubChem CID 91773222) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(3R,4S)-3-[[6-(methoxymethyl)pyrimidin-4-yl]amino]oxan-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[(3R,4S)-3-[[6-(methoxymethyl)pyrimidin-4-yl]amino]oxan-4-yl]oxyethanol
PubChem CID91773222
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[(3R,4S)-3-[[6-(methoxymethyl)pyrimidin-4-yl]amino]oxan-4-yl]oxyethanol
SMILESCOCc1cc(N[C@@H]2COCC[C@@H]2OCCO)ncn1
InChIInChI=1S/C13H21N3O4/c1-18-7-10-6-13(15-9-14-10)16-11-8-19-4-2-12(11)20-5-3-17/h6,9,11-12,17H,2-5,7-8H2,1H3,(H,14,15,16)/t11-,12+/m1/s1
InChIKeyUOUCNRRLWITVNG-NEPJUHHUSA-N
XLogP0.20
TPSA85.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-[[6-(methoxymethyl)pyrimidin-4-yl]amino]oxan-4-yl]oxyethanol?
The IUPAC name of 2-[(3R,4S)-3-[[6-(methoxymethyl)pyrimidin-4-yl]amino]oxan-4-yl]oxyethanol (CID 91773222) is 2-[(3R,4S)-3-[[6-(methoxymethyl)pyrimidin-4-yl]amino]oxan-4-yl]oxyethanol.
What is the SMILES notation for 2-[(3R,4S)-3-[[6-(methoxymethyl)pyrimidin-4-yl]amino]oxan-4-yl]oxyethanol?
The canonical SMILES for 2-[(3R,4S)-3-[[6-(methoxymethyl)pyrimidin-4-yl]amino]oxan-4-yl]oxyethanol is COCc1cc(N[C@@H]2COCC[C@@H]2OCCO)ncn1.
What is the InChIKey of 2-[(3R,4S)-3-[[6-(methoxymethyl)pyrimidin-4-yl]amino]oxan-4-yl]oxyethanol?
The InChIKey is UOUCNRRLWITVNG-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-18-7-10-6-13(15-9-14-10)16-11-8-19-4-2-12(11)20-5-3-17/h6,9,11-12,17H,2-5,7-8H2,1H3,(H,14,15,16)/t11-,12+/m1/s1.
What are the key properties of 2-[(3R,4S)-3-[[6-(methoxymethyl)pyrimidin-4-yl]amino]oxan-4-yl]oxyethanol?
2-[(3R,4S)-3-[[6-(methoxymethyl)pyrimidin-4-yl]amino]oxan-4-yl]oxyethanol has a molecular weight of 283.33 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-[[6-(methoxymethyl)pyrimidin-4-yl]amino]oxan-4-yl]oxyethanol is sourced from PubChem (CID 91773222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).