ethane;2-[(1-pyrimidin-2-ylethylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

C19H29F3N6O3 — CID 171556759

IUPACethane;2-[(1-pyrimidin-2-ylethylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC.CC(NCC1OCCC(O)C1O)c1ncccn1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C12H19N3O3.C5H4F3N3.C2H6/c1-8(12-13-4-2-5-14-12)15-7-10-11(17)9(16)3-6-18-10;6-5(7,8)3-1-10-2-4(9)11-3;1-2/h2,4-5,8-11,15-17H,3,6-7H2,1H3;1-2H,(H2,9,11);1-2H3
InChIKeyCXJIWOUYWXYZOC-UHFFFAOYSA-N
MW446.47 g/mol
LogP1.74
Rot. Bonds4

About ethane;2-[(1-pyrimidin-2-ylethylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

ethane;2-[(1-pyrimidin-2-ylethylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171556759) has the molecular formula C19H29F3N6O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is ethane;2-[(1-pyrimidin-2-ylethylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Nameethane;2-[(1-pyrimidin-2-ylethylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171556759
Molecular FormulaC19H29F3N6O3
Molecular Weight446.47 g/mol
Exact Mass446.23
IUPAC Nameethane;2-[(1-pyrimidin-2-ylethylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC.CC(NCC1OCCC(O)C1O)c1ncccn1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C12H19N3O3.C5H4F3N3.C2H6/c1-8(12-13-4-2-5-14-12)15-7-10-11(17)9(16)3-6-18-10;6-5(7,8)3-1-10-2-4(9)11-3;1-2/h2,4-5,8-11,15-17H,3,6-7H2,1H3;1-2H,(H2,9,11);1-2H3
InChIKeyCXJIWOUYWXYZOC-UHFFFAOYSA-N
XLogP1.74
TPSA139.30 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze ethane;2-[(1-pyrimidin-2-ylethylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine with MolForge

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Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol
CID 167408642
(2R,3R,4R,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221554
(2R,3R,4R,5S)-2-[(4-methylpiperazin-1-yl)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221991
(2R,3R,4R,5S)-2-[(pyrazin-2-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167222181
(2R,3R,4R,5S)-2-(methoxymethyl)-5-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol
CID 171399942
(2R,3R,4R,5S)-2-[(pyrimidin-2-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171556834
(2R,3R,4R,5S)-2-[[[(1R)-1-pyrimidin-2-ylethyl]amino]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171556842
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]pyrimidine-5-carboxamide
CID 171556865
N-[(3aS,4R,7S,7aR)-2,2-dimethyl-4-[(1-pyrimidin-2-ylethylamino)methyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-6-(trifluoromethyl)pyrazin-2-amine
CID 171556948
(2R,3R,4R,5S)-2-[(1-pyrimidin-2-ylethylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171556973
(2R,3R,4R,5S)-2-[[5-(hydroxymethyl)pyrimidin-2-yl]oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171556982
N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171556994

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(1-pyrimidin-2-ylethylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of ethane;2-[(1-pyrimidin-2-ylethylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (CID 171556759) is ethane;2-[(1-pyrimidin-2-ylethylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for ethane;2-[(1-pyrimidin-2-ylethylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for ethane;2-[(1-pyrimidin-2-ylethylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is CC.CC(NCC1OCCC(O)C1O)c1ncccn1.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of ethane;2-[(1-pyrimidin-2-ylethylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is CXJIWOUYWXYZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3.C5H4F3N3.C2H6/c1-8(12-13-4-2-5-14-12)15-7-10-11(17)9(16)3-6-18-10;6-5(7,8)3-1-10-2-4(9)11-3;1-2/h2,4-5,8-11,15-17H,3,6-7H2,1H3;1-2H,(H2,9,11);1-2H3.
What are the key properties of ethane;2-[(1-pyrimidin-2-ylethylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
ethane;2-[(1-pyrimidin-2-ylethylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 446.47 g/mol, XLogP of 1.74, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(1-pyrimidin-2-ylethylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171556759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).