6-amino-2-(hydroxymethyl)oxane-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine

C11H17F3N4O4 — CID 171557608

IUPAC6-amino-2-(hydroxymethyl)oxane-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine
SMILESNC1CC(O)C(O)C(CO)O1.Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C6H13NO4.C5H4F3N3/c7-5-1-3(9)6(10)4(2-8)11-5;6-5(7,8)3-1-2-10-4(9)11-3/h3-6,8-10H,1-2,7H2;1-2H,(H2,9,10,11)
InChIKeyGPNOJALZUZWZQC-UHFFFAOYSA-N
MW326.28 g/mol
LogP-1.15
Rot. Bonds1

About 6-amino-2-(hydroxymethyl)oxane-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine

6-amino-2-(hydroxymethyl)oxane-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 171557608) has the molecular formula C11H17F3N4O4 and a molecular weight of 326.28 g/mol. Its IUPAC name is 6-amino-2-(hydroxymethyl)oxane-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name6-amino-2-(hydroxymethyl)oxane-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID171557608
Molecular FormulaC11H17F3N4O4
Molecular Weight326.28 g/mol
Exact Mass326.12
IUPAC Name6-amino-2-(hydroxymethyl)oxane-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine
SMILESNC1CC(O)C(O)C(CO)O1.Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C6H13NO4.C5H4F3N3/c7-5-1-3(9)6(10)4(2-8)11-5;6-5(7,8)3-1-2-10-4(9)11-3/h3-6,8-10H,1-2,7H2;1-2H,(H2,9,10,11)
InChIKeyGPNOJALZUZWZQC-UHFFFAOYSA-N
XLogP-1.15
TPSA147.74 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 5-1.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(hydroxymethyl)oxane-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 6-amino-2-(hydroxymethyl)oxane-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine (CID 171557608) is 6-amino-2-(hydroxymethyl)oxane-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 6-amino-2-(hydroxymethyl)oxane-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 6-amino-2-(hydroxymethyl)oxane-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine is NC1CC(O)C(O)C(CO)O1.Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of 6-amino-2-(hydroxymethyl)oxane-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is GPNOJALZUZWZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4.C5H4F3N3/c7-5-1-3(9)6(10)4(2-8)11-5;6-5(7,8)3-1-2-10-4(9)11-3/h3-6,8-10H,1-2,7H2;1-2H,(H2,9,10,11).
What are the key properties of 6-amino-2-(hydroxymethyl)oxane-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine?
6-amino-2-(hydroxymethyl)oxane-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 326.28 g/mol, XLogP of -1.15, 1 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(hydroxymethyl)oxane-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 171557608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).