5-[[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol

C11H14F3N3O4 — CID 175827982

IUPAC5-[[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol
SMILESCOc1cc(NC2COCC(O)C2O)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O4/c1-20-8-2-7(16-10(17-8)11(12,13)14)15-5-3-21-4-6(18)9(5)19/h2,5-6,9,18-19H,3-4H2,1H3,(H,15,16,17)
InChIKeyPWBGEXGRBQXLJJ-UHFFFAOYSA-N
MW309.24 g/mol
LogP0.04
Rot. Bonds3

About 5-[[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol

5-[[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol (PubChem CID 175827982) has the molecular formula C11H14F3N3O4 and a molecular weight of 309.24 g/mol. Its IUPAC name is 5-[[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol.

Molecular Properties

Compound Name5-[[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol
PubChem CID175827982
Molecular FormulaC11H14F3N3O4
Molecular Weight309.24 g/mol
Exact Mass309.09
IUPAC Name5-[[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol
SMILESCOc1cc(NC2COCC(O)C2O)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O4/c1-20-8-2-7(16-10(17-8)11(12,13)14)15-5-3-21-4-6(18)9(5)19/h2,5-6,9,18-19H,3-4H2,1H3,(H,15,16,17)
InChIKeyPWBGEXGRBQXLJJ-UHFFFAOYSA-N
XLogP0.04
TPSA96.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol 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,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol
CID 165180122
N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine
CID 164638728
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethoxy)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 167221620
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-methoxy-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 156818392
(2R,3R,4R,5S)-5-[(4-chloro-6-methoxypyrimidin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 156818463
(2R,3R,4R,5S)-5-[(2,6-dimethoxypyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 165180166
4-[[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-6-methoxypyrimidine-2-carbonitrile
CID 165180229
1,1,1-Trifluoro-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propan-2-ol
CID 105646900
3-[(6-Ethoxy-2-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105647305
1,1-Difluoro-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propan-2-ol
CID 105647528
3-[(6-Ethoxy-2-methylpyrimidin-4-yl)amino]-1,1-difluoropropan-2-ol
CID 105647881
3-[(2-Amino-6-methoxypyrimidin-4-yl)amino]-1,1-difluoropropan-2-ol
CID 105649501

Frequently Asked Questions

What is the IUPAC name of 5-[[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol?
The IUPAC name of 5-[[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol (CID 175827982) is 5-[[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol.
What is the SMILES notation for 5-[[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol?
The canonical SMILES for 5-[[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol is COc1cc(NC2COCC(O)C2O)nc(C(F)(F)F)n1.
What is the InChIKey of 5-[[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol?
The InChIKey is PWBGEXGRBQXLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O4/c1-20-8-2-7(16-10(17-8)11(12,13)14)15-5-3-21-4-6(18)9(5)19/h2,5-6,9,18-19H,3-4H2,1H3,(H,15,16,17).
What are the key properties of 5-[[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol?
5-[[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol has a molecular weight of 309.24 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol is sourced from PubChem (CID 175827982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).