3-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide

C11H17N5O4 — CID 176964247

IUPAC3-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide
SMILESC=Nc1c(/C(N)=N/C)[nH]c(=O)n1[C@H]1CC(O)C(CO)O1
InChIInChI=1S/C11H17N5O4/c1-13-9(12)8-10(14-2)16(11(19)15-8)7-3-5(18)6(4-17)20-7/h5-7,17-18H,2-4H2,1H3,(H2,12,13)(H,15,19)/t5?,6?,7-/m1/s1
InChIKeyCCWCYPQGPINDRV-KPGICGJXSA-N
MW283.29 g/mol
LogP-1.52
Rot. Bonds4

About 3-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide

3-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide (PubChem CID 176964247) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide.

Molecular Properties

Compound Name3-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide
PubChem CID176964247
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name3-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide
SMILESC=Nc1c(/C(N)=N/C)[nH]c(=O)n1[C@H]1CC(O)C(CO)O1
InChIInChI=1S/C11H17N5O4/c1-13-9(12)8-10(14-2)16(11(19)15-8)7-3-5(18)6(4-17)20-7/h5-7,17-18H,2-4H2,1H3,(H2,12,13)(H,15,19)/t5?,6?,7-/m1/s1
InChIKeyCCWCYPQGPINDRV-KPGICGJXSA-N
XLogP-1.52
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
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

3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrimidine-2,4-dione
CID 170680146
3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrimidine-2,4-dione
CID 167063056
6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazine-2,4-dione
CID 71313544
6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazine-2,4-dione
CID 131865431
6-amino-5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 16665301
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(methylamino)pyrimidine-2,4-dione
CID 71371968
2-amino-9-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione
CID 163296296
2-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione
CID 135433642
2-(15N)azanyl-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione
CID 139025682
5-ethyl-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 177125388
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione;hydrate
CID 141452836
5-fluoro-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carbaldehyde
CID 25027089

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide?
The IUPAC name of 3-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide (CID 176964247) is 3-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide.
What is the SMILES notation for 3-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide?
The canonical SMILES for 3-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide is C=Nc1c(/C(N)=N/C)[nH]c(=O)n1[C@H]1CC(O)C(CO)O1.
What is the InChIKey of 3-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide?
The InChIKey is CCWCYPQGPINDRV-KPGICGJXSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-13-9(12)8-10(14-2)16(11(19)15-8)7-3-5(18)6(4-17)20-7/h5-7,17-18H,2-4H2,1H3,(H2,12,13)(H,15,19)/t5?,6?,7-/m1/s1.
What are the key properties of 3-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide?
3-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide has a molecular weight of 283.29 g/mol, XLogP of -1.52, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-methyl-4-(methylideneamino)-2-oxo-1H-imidazole-5-carboximidamide is sourced from PubChem (CID 176964247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).