(3R,4R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]oxan-4-ol

C11H17N3O4 — CID 91771624

IUPAC(3R,4R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]oxan-4-ol
SMILESCOc1cc(OC)nc(NC2COCC[C@H]2O)n1
InChIInChI=1S/C11H17N3O4/c1-16-9-5-10(17-2)14-11(13-9)12-7-6-18-4-3-8(7)15/h5,7-8,15H,3-4,6H2,1-2H3,(H,12,13,14)/t7?,8-/m1/s1
InChIKeyPFTHJULDIVXLDC-BRFYHDHCSA-N
MW255.27 g/mol
LogP0.06
Rot. Bonds4

About (3R,4R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]oxan-4-ol

(3R,4R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]oxan-4-ol (PubChem CID 91771624) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is (3R,4R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]oxan-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]oxan-4-ol
PubChem CID91771624
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name(3R,4R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]oxan-4-ol
SMILESCOc1cc(OC)nc(NC2COCC[C@H]2O)n1
InChIInChI=1S/C11H17N3O4/c1-16-9-5-10(17-2)14-11(13-9)12-7-6-18-4-3-8(7)15/h5,7-8,15H,3-4,6H2,1-2H3,(H,12,13,14)/t7?,8-/m1/s1
InChIKeyPFTHJULDIVXLDC-BRFYHDHCSA-N
XLogP0.06
TPSA85.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]oxan-4-ol?
The IUPAC name of (3R,4R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]oxan-4-ol (CID 91771624) is (3R,4R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]oxan-4-ol.
What is the SMILES notation for (3R,4R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]oxan-4-ol?
The canonical SMILES for (3R,4R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]oxan-4-ol is COc1cc(OC)nc(NC2COCC[C@H]2O)n1.
What is the InChIKey of (3R,4R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]oxan-4-ol?
The InChIKey is PFTHJULDIVXLDC-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-16-9-5-10(17-2)14-11(13-9)12-7-6-18-4-3-8(7)15/h5,7-8,15H,3-4,6H2,1-2H3,(H,12,13,14)/t7?,8-/m1/s1.
What are the key properties of (3R,4R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]oxan-4-ol?
(3R,4R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]oxan-4-ol has a molecular weight of 255.27 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]oxan-4-ol is sourced from PubChem (CID 91771624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).