(2R,5R)-5-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-2-ethyloxolan-3-ol

C10H16N4O2 — CID 157314502

IUPAC(2R,5R)-5-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-2-ethyloxolan-3-ol
SMILESC=C1N=C(N)N=CN1[C@H]1CC(O)[C@@H](CC)O1
InChIInChI=1S/C10H16N4O2/c1-3-8-7(15)4-9(16-8)14-5-12-10(11)13-6(14)2/h5,7-9,15H,2-4H2,1H3,(H2,11,13)/t7?,8-,9-/m1/s1
InChIKeyBDKWEQNRCSOXLL-CFCGPWAMSA-N
MW224.26 g/mol
LogP0.00
Rot. Bonds2

About (2R,5R)-5-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-2-ethyloxolan-3-ol

(2R,5R)-5-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-2-ethyloxolan-3-ol (PubChem CID 157314502) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2R,5R)-5-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-2-ethyloxolan-3-ol.

Molecular Properties

Compound Name(2R,5R)-5-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-2-ethyloxolan-3-ol
PubChem CID157314502
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(2R,5R)-5-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-2-ethyloxolan-3-ol
SMILESC=C1N=C(N)N=CN1[C@H]1CC(O)[C@@H](CC)O1
InChIInChI=1S/C10H16N4O2/c1-3-8-7(15)4-9(16-8)14-5-12-10(11)13-6(14)2/h5,7-9,15H,2-4H2,1H3,(H2,11,13)/t7?,8-,9-/m1/s1
InChIKeyBDKWEQNRCSOXLL-CFCGPWAMSA-N
XLogP0.00
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,5R)-5-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-2-ethyloxolan-3-ol
CID 162078505
1-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]-4-methyl-2-methylidene-1,3,5-triazine
CID 165095740
(2R,3R,5S)-2-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 174094042
(2R,3R,5R)-2-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 174094040
(2R,3R,5R)-5-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-2-ethyloxolan-3-ol;3-[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]methoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 162078504
4-amino-1-[(2S,5S)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 59015693
5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethyloxolan-3-ol
CID 21344783
3-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-methylidene-1H-pyrimidin-4-one
CID 174181238
4-amino-5-[(E)-2-cyclopropylethenyl]-1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 157479702
2-amino-7-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4aH-pyrrolo[2,3-d]pyrimidin-4-one
CID 172653397
[[5-(4-amino-5-iodo-2-methylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 158369466
1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione
CID 174181276

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-2-ethyloxolan-3-ol?
The IUPAC name of (2R,5R)-5-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-2-ethyloxolan-3-ol (CID 157314502) is (2R,5R)-5-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-2-ethyloxolan-3-ol.
What is the SMILES notation for (2R,5R)-5-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-2-ethyloxolan-3-ol?
The canonical SMILES for (2R,5R)-5-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-2-ethyloxolan-3-ol is C=C1N=C(N)N=CN1[C@H]1CC(O)[C@@H](CC)O1.
What is the InChIKey of (2R,5R)-5-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-2-ethyloxolan-3-ol?
The InChIKey is BDKWEQNRCSOXLL-CFCGPWAMSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-8-7(15)4-9(16-8)14-5-12-10(11)13-6(14)2/h5,7-9,15H,2-4H2,1H3,(H2,11,13)/t7?,8-,9-/m1/s1.
What are the key properties of (2R,5R)-5-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-2-ethyloxolan-3-ol?
(2R,5R)-5-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-2-ethyloxolan-3-ol has a molecular weight of 224.26 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-2-ethyloxolan-3-ol is sourced from PubChem (CID 157314502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).