4-amino-1-[(4S,5R)-5-ethyl-4-methyloxolan-2-yl]-1,3,5-triazin-2-one

C10H16N4O2 — CID 59475669

IUPAC4-amino-1-[(4S,5R)-5-ethyl-4-methyloxolan-2-yl]-1,3,5-triazin-2-one
SMILESCC[C@H]1OC(n2cnc(N)nc2=O)C[C@@H]1C
InChIInChI=1S/C10H16N4O2/c1-3-7-6(2)4-8(16-7)14-5-12-9(11)13-10(14)15/h5-8H,3-4H2,1-2H3,(H2,11,13,15)/t6-,7+,8?/m0/s1
InChIKeyJNSKYVGZSHKRBC-KJFJCRTCSA-N
MW224.26 g/mol
LogP0.55
Rot. Bonds2

About 4-amino-1-[(4S,5R)-5-ethyl-4-methyloxolan-2-yl]-1,3,5-triazin-2-one

4-amino-1-[(4S,5R)-5-ethyl-4-methyloxolan-2-yl]-1,3,5-triazin-2-one (PubChem CID 59475669) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-amino-1-[(4S,5R)-5-ethyl-4-methyloxolan-2-yl]-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-1-[(4S,5R)-5-ethyl-4-methyloxolan-2-yl]-1,3,5-triazin-2-one
PubChem CID59475669
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-amino-1-[(4S,5R)-5-ethyl-4-methyloxolan-2-yl]-1,3,5-triazin-2-one
SMILESCC[C@H]1OC(n2cnc(N)nc2=O)C[C@@H]1C
InChIInChI=1S/C10H16N4O2/c1-3-7-6(2)4-8(16-7)14-5-12-9(11)13-10(14)15/h5-8H,3-4H2,1-2H3,(H2,11,13,15)/t6-,7+,8?/m0/s1
InChIKeyJNSKYVGZSHKRBC-KJFJCRTCSA-N
XLogP0.55
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-1-[(4S,5R)-5-ethyl-4-methyloxolan-2-yl]-1,3,5-triazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,3,5-triazin-2-one
CID 76973346
4-amino-1-[(4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-1,3,5-triazin-2-one
CID 59188005
4-amino-1-[(2R,4S,5R)-5-[[cyclopentyl(diethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1,3,5-triazin-2-one
CID 150129352
[(2R,3R,5R)-3-acetyloxy-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methyl acetate
CID 91343339
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;butanedioic acid
CID 53241413
2,6-dichloro-9-(5-ethyl-4-methyloxolan-2-yl)purine
CID 20656110
[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate
CID 71167907
[(2R,3S)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
CID 90969634
4-amino-1-[(2S,5S)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 59015693
[5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-benzoyloxyoxolan-2-yl]methyl benzoate
CID 75228927
[6-[[5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]oxan-2-yl]methyl hexanoate
CID 158916627
2-amino-9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 137254435

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(4S,5R)-5-ethyl-4-methyloxolan-2-yl]-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-1-[(4S,5R)-5-ethyl-4-methyloxolan-2-yl]-1,3,5-triazin-2-one (CID 59475669) is 4-amino-1-[(4S,5R)-5-ethyl-4-methyloxolan-2-yl]-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-1-[(4S,5R)-5-ethyl-4-methyloxolan-2-yl]-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-1-[(4S,5R)-5-ethyl-4-methyloxolan-2-yl]-1,3,5-triazin-2-one is CC[C@H]1OC(n2cnc(N)nc2=O)C[C@@H]1C.
What is the InChIKey of 4-amino-1-[(4S,5R)-5-ethyl-4-methyloxolan-2-yl]-1,3,5-triazin-2-one?
The InChIKey is JNSKYVGZSHKRBC-KJFJCRTCSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-7-6(2)4-8(16-7)14-5-12-9(11)13-10(14)15/h5-8H,3-4H2,1-2H3,(H2,11,13,15)/t6-,7+,8?/m0/s1.
What are the key properties of 4-amino-1-[(4S,5R)-5-ethyl-4-methyloxolan-2-yl]-1,3,5-triazin-2-one?
4-amino-1-[(4S,5R)-5-ethyl-4-methyloxolan-2-yl]-1,3,5-triazin-2-one has a molecular weight of 224.26 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(4S,5R)-5-ethyl-4-methyloxolan-2-yl]-1,3,5-triazin-2-one is sourced from PubChem (CID 59475669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).