[1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium

C15H18N5O3+ — CID 4920974

IUPAC[1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium
SMILESCc1[nH]c(=O)[nH]c(=O)c1C=NNC(=O)C([NH3+])Cc1ccccc1
InChIInChI=1S/C15H17N5O3/c1-9-11(13(21)19-15(23)18-9)8-17-20-14(22)12(16)7-10-5-3-2-4-6-10/h2-6,8,12H,7,16H2,1H3,(H,20,22)(H2,18,19,21,23)/p+1
InChIKeyIEXUGUYYLXFHNR-UHFFFAOYSA-O
MW316.34 g/mol
LogP-1.33
Rot. Bonds5

About [1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium

[1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium (PubChem CID 4920974) has the molecular formula C15H18N5O3+ and a molecular weight of 316.34 g/mol. Its IUPAC name is [1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium.

Molecular Properties

Compound Name[1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium
PubChem CID4920974
Molecular FormulaC15H18N5O3+
Molecular Weight316.34 g/mol
Exact Mass316.14
IUPAC Name[1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium
SMILESCc1[nH]c(=O)[nH]c(=O)c1C=NNC(=O)C([NH3+])Cc1ccccc1
InChIInChI=1S/C15H17N5O3/c1-9-11(13(21)19-15(23)18-9)8-17-20-14(22)12(16)7-10-5-3-2-4-6-10/h2-6,8,12H,7,16H2,1H3,(H,20,22)(H2,18,19,21,23)/p+1
InChIKeyIEXUGUYYLXFHNR-UHFFFAOYSA-O
XLogP-1.33
TPSA134.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]-3-phenylpropanamide
CID 936687
tert-butyl N-[1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 4872229
(2S,3S)-2-amino-3-methyl-N-[(Z)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]pentanamide
CID 136732583
(2S)-2-amino-3-methyl-N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]pentanamide
CID 135651544
methyl N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]carbamate
CID 135710723
[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium
CID 23548413
methyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]-3-phenylpropanoate
CID 4830198
methyl (2R)-2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]-3-phenylpropanoate
CID 136700661
N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 110526283
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide
CID 135420145
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-2-phenylacetamide
CID 110511233
2-[[(2S)-2-azaniumyl-3-phenylpropanoyl]amino]acetate
CID 6992303

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium?
The IUPAC name of [1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium (CID 4920974) is [1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium.
What is the SMILES notation for [1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium?
The canonical SMILES for [1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium is Cc1[nH]c(=O)[nH]c(=O)c1C=NNC(=O)C([NH3+])Cc1ccccc1.
What is the InChIKey of [1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium?
The InChIKey is IEXUGUYYLXFHNR-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17N5O3/c1-9-11(13(21)19-15(23)18-9)8-17-20-14(22)12(16)7-10-5-3-2-4-6-10/h2-6,8,12H,7,16H2,1H3,(H,20,22)(H2,18,19,21,23)/p+1.
What are the key properties of [1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium?
[1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium has a molecular weight of 316.34 g/mol, XLogP of -1.33, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium is sourced from PubChem (CID 4920974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).