(2R,3R,4R,5S)-2-[[4-(2-methylpropyl)pyrimidin-2-yl]oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol

C19H24F3N5O4 — CID 171558266

IUPAC(2R,3R,4R,5S)-2-[[4-(2-methylpropyl)pyrimidin-2-yl]oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
SMILESCC(C)Cc1ccnc(OC[C@H]2OC[C@H](Nc3cncc(C(F)(F)F)n3)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C19H24F3N5O4/c1-10(2)5-11-3-4-24-18(25-11)31-9-13-17(29)16(28)12(8-30-13)26-15-7-23-6-14(27-15)19(20,21)22/h3-4,6-7,10,12-13,16-17,28-29H,5,8-9H2,1-2H3,(H,26,27)/t12-,13+,16+,17-/m0/s1
InChIKeyQUTZLGUNQOHKTQ-IXKJSCDLSA-N
MW443.43 g/mol
LogP1.46
Rot. Bonds7

About (2R,3R,4R,5S)-2-[[4-(2-methylpropyl)pyrimidin-2-yl]oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol

(2R,3R,4R,5S)-2-[[4-(2-methylpropyl)pyrimidin-2-yl]oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol (PubChem CID 171558266) has the molecular formula C19H24F3N5O4 and a molecular weight of 443.43 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-[[4-(2-methylpropyl)pyrimidin-2-yl]oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-[[4-(2-methylpropyl)pyrimidin-2-yl]oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
PubChem CID171558266
Molecular FormulaC19H24F3N5O4
Molecular Weight443.43 g/mol
Exact Mass443.18
IUPAC Name(2R,3R,4R,5S)-2-[[4-(2-methylpropyl)pyrimidin-2-yl]oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
SMILESCC(C)Cc1ccnc(OC[C@H]2OC[C@H](Nc3cncc(C(F)(F)F)n3)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C19H24F3N5O4/c1-10(2)5-11-3-4-24-18(25-11)31-9-13-17(29)16(28)12(8-30-13)26-15-7-23-6-14(27-15)19(20,21)22/h3-4,6-7,10,12-13,16-17,28-29H,5,8-9H2,1-2H3,(H,26,27)/t12-,13+,16+,17-/m0/s1
InChIKeyQUTZLGUNQOHKTQ-IXKJSCDLSA-N
XLogP1.46
TPSA122.51 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4R,5S)-2-[[4-(2-methylpropyl)pyrimidin-2-yl]oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-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

2-[(3R)-3-methylpiperazin-1-yl]-4-N-pyrimidin-4-yl-6-[2-(2,2,2-trifluoroethoxy)propanimidoyl]-5-N-[2-(trifluoromethoxy)ethyl]pyrimidine-4,5-diamine
CID 143220942
6-(3-ethoxypropanimidoyl)-2-[(3R)-3-methylpiperazin-1-yl]-4-N-pyrimidin-4-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,5-diamine
CID 143221071
5-N-(2-ethoxyethyl)-2-[(3R)-3-methylpiperazin-1-yl]-4-N-pyrimidin-4-yl-6-[2-(2,2,2-trifluoroethoxy)propanimidoyl]pyrimidine-4,5-diamine
CID 143221107
(2R,3R,4R,5S)-5-[[4-[(1-tert-butyltriazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 169019024
Ethane;2-[(1-pyrimidin-2-ylethylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171556759
(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
(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
(2R,3R,4R)-2-[(pyrimidin-2-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 171557141
2-[(1-Pyrimidin-2-ylethylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171557156
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide
CID 171557296

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-[[4-(2-methylpropyl)pyrimidin-2-yl]oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-[[4-(2-methylpropyl)pyrimidin-2-yl]oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol (CID 171558266) is (2R,3R,4R,5S)-2-[[4-(2-methylpropyl)pyrimidin-2-yl]oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-[[4-(2-methylpropyl)pyrimidin-2-yl]oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-[[4-(2-methylpropyl)pyrimidin-2-yl]oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol is CC(C)Cc1ccnc(OC[C@H]2OC[C@H](Nc3cncc(C(F)(F)F)n3)[C@@H](O)[C@H]2O)n1.
What is the InChIKey of (2R,3R,4R,5S)-2-[[4-(2-methylpropyl)pyrimidin-2-yl]oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?
The InChIKey is QUTZLGUNQOHKTQ-IXKJSCDLSA-N. The full InChI is InChI=1S/C19H24F3N5O4/c1-10(2)5-11-3-4-24-18(25-11)31-9-13-17(29)16(28)12(8-30-13)26-15-7-23-6-14(27-15)19(20,21)22/h3-4,6-7,10,12-13,16-17,28-29H,5,8-9H2,1-2H3,(H,26,27)/t12-,13+,16+,17-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-[[4-(2-methylpropyl)pyrimidin-2-yl]oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?
(2R,3R,4R,5S)-2-[[4-(2-methylpropyl)pyrimidin-2-yl]oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol has a molecular weight of 443.43 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-[[4-(2-methylpropyl)pyrimidin-2-yl]oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol is sourced from PubChem (CID 171558266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).