N'-[5-(5-ethyl-4-hydroxyoxolan-2-yl)-4-oxo-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide

C12H19N5O3 — CID 164960281

IUPACN'-[5-(5-ethyl-4-hydroxyoxolan-2-yl)-4-oxo-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide
SMILESCCC1OC(n2cnc(N=CN(C)C)nc2=O)CC1O
InChIInChI=1S/C12H19N5O3/c1-4-9-8(18)5-10(20-9)17-7-14-11(15-12(17)19)13-6-16(2)3/h6-10,18H,4-5H2,1-3H3
InChIKeyWHPHCTKIFZCHJK-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.08
Rot. Bonds4

About N'-[5-(5-ethyl-4-hydroxyoxolan-2-yl)-4-oxo-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide

N'-[5-(5-ethyl-4-hydroxyoxolan-2-yl)-4-oxo-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 164960281) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is N'-[5-(5-ethyl-4-hydroxyoxolan-2-yl)-4-oxo-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[5-(5-ethyl-4-hydroxyoxolan-2-yl)-4-oxo-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide
PubChem CID164960281
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC NameN'-[5-(5-ethyl-4-hydroxyoxolan-2-yl)-4-oxo-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide
SMILESCCC1OC(n2cnc(N=CN(C)C)nc2=O)CC1O
InChIInChI=1S/C12H19N5O3/c1-4-9-8(18)5-10(20-9)17-7-14-11(15-12(17)19)13-6-16(2)3/h6-10,18H,4-5H2,1-3H3
InChIKeyWHPHCTKIFZCHJK-UHFFFAOYSA-N
XLogP-0.08
TPSA92.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethenyl acetate;N'-[5-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide;N'-[5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide
CID 165000300
N'-[5-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide
CID 138958110
N'-[8-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxoimidazo[1,2-a][1,3,5]triazin-2-yl]-N,N-dimethylmethanimidamide
CID 10663607
N'-[6-chloro-9-(5-ethyl-4-hydroxyoxolan-2-yl)-3,6-dihydropurin-2-yl]-N,N-dimethylmethanimidamide
CID 158305345
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(E)-morpholin-4-ylmethylideneamino]-1,3,5-triazin-2-one
CID 170542742
4-amino-1-[(2S,5S)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 59015693
N'-[9-[(2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide
CID 177465625
N'-[5-ethenyl-7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 177429063
4-amino-5-[(E)-2-cyclopropylethenyl]-1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 157479702
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
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)-1,3,5-triazin-2-one
CID 123274852
4-amino-1-[(4S,5R)-5-ethyl-4-methyloxolan-2-yl]-1,3,5-triazin-2-one
CID 59475669

Frequently Asked Questions

What is the IUPAC name of N'-[5-(5-ethyl-4-hydroxyoxolan-2-yl)-4-oxo-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[5-(5-ethyl-4-hydroxyoxolan-2-yl)-4-oxo-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide (CID 164960281) is N'-[5-(5-ethyl-4-hydroxyoxolan-2-yl)-4-oxo-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[5-(5-ethyl-4-hydroxyoxolan-2-yl)-4-oxo-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[5-(5-ethyl-4-hydroxyoxolan-2-yl)-4-oxo-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide is CCC1OC(n2cnc(N=CN(C)C)nc2=O)CC1O.
What is the InChIKey of N'-[5-(5-ethyl-4-hydroxyoxolan-2-yl)-4-oxo-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is WHPHCTKIFZCHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-4-9-8(18)5-10(20-9)17-7-14-11(15-12(17)19)13-6-16(2)3/h6-10,18H,4-5H2,1-3H3.
What are the key properties of N'-[5-(5-ethyl-4-hydroxyoxolan-2-yl)-4-oxo-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide?
N'-[5-(5-ethyl-4-hydroxyoxolan-2-yl)-4-oxo-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 281.32 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(5-ethyl-4-hydroxyoxolan-2-yl)-4-oxo-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 164960281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).