2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]guanidine

C8H12N6O3 — CID 135559000

IUPAC2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]guanidine
SMILESCC/C(=N\N=C(N)N)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H12N6O3/c1-2-3(13-14-7(9)10)4-5(15)11-8(17)12-6(4)16/h2H2,1H3,(H4,9,10,14)(H3,11,12,15,16,17)/b13-3+
InChIKeyWTPFLTNLMIQSED-QLKAYGNNSA-N
MW240.22 g/mol
LogP-1.84
Rot. Bonds3

About 2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]guanidine

2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]guanidine (PubChem CID 135559000) has the molecular formula C8H12N6O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]guanidine
PubChem CID135559000
Molecular FormulaC8H12N6O3
Molecular Weight240.22 g/mol
Exact Mass240.10
IUPAC Name2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]guanidine
SMILESCC/C(=N\N=C(N)N)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H12N6O3/c1-2-3(13-14-7(9)10)4-5(15)11-8(17)12-6(4)16/h2H2,1H3,(H4,9,10,14)(H3,11,12,15,16,17)/b13-3+
InChIKeyWTPFLTNLMIQSED-QLKAYGNNSA-N
XLogP-1.84
TPSA162.71 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-1.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]guanidine
CID 135625814
6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione
CID 1385843
5-ethanehydrazonoyl-6-hydroxy-1H-pyrimidine-2,4-dione
CID 154186624
methyl 2-[1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]-3-(1H-indol-3-yl)propanoate
CID 3648627
2-[1-(4-hydroxyphenyl)propylideneamino]guanidine
CID 3526910
N-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]heptanamide
CID 135493370
dihydroxy(oxo)azanium;2-[(E)-1-(4-hydroxyphenyl)propylideneamino]guanidine
CID 135788875
6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione
CID 171982597
6-hydroxy-5-[(1S)-3-oxo-1-phenylpentyl]-1H-pyrimidine-2,4-dione
CID 29178161
2-[(E)-1-(1H-pyrazol-4-yl)propylideneamino]guanidine
CID 137266602
ethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate
CID 15947078
6-hydroxy-5-(octadec-9-enyliminomethyl)-1H-pyrimidine-2,4-dione
CID 2856681

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]guanidine (CID 135559000) is 2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]guanidine is CC/C(=N\N=C(N)N)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]guanidine?
The InChIKey is WTPFLTNLMIQSED-QLKAYGNNSA-N. The full InChI is InChI=1S/C8H12N6O3/c1-2-3(13-14-7(9)10)4-5(15)11-8(17)12-6(4)16/h2H2,1H3,(H4,9,10,14)(H3,11,12,15,16,17)/b13-3+.
What are the key properties of 2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]guanidine?
2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]guanidine has a molecular weight of 240.22 g/mol, XLogP of -1.84, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]guanidine is sourced from PubChem (CID 135559000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).