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

C7H10N6O3 — CID 135625814

IUPAC2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N6O3/c1-2(12-13-6(8)9)3-4(14)10-7(16)11-5(3)15/h1H3,(H4,8,9,13)(H3,10,11,14,15,16)/b12-2+
InChIKeyMTVFCJSCATXGBX-SWGQDTFXSA-N
MW226.20 g/mol
LogP-2.23
Rot. Bonds2

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

2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]guanidine (PubChem CID 135625814) has the molecular formula C7H10N6O3 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]guanidine
PubChem CID135625814
Molecular FormulaC7H10N6O3
Molecular Weight226.20 g/mol
Exact Mass226.08
IUPAC Name2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N6O3/c1-2(12-13-6(8)9)3-4(14)10-7(16)11-5(3)15/h1H3,(H4,8,9,13)(H3,10,11,14,15,16)/b12-2+
InChIKeyMTVFCJSCATXGBX-SWGQDTFXSA-N
XLogP-2.23
TPSA162.71 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-2.23
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

5-ethanehydrazonoyl-6-hydroxy-1H-pyrimidine-2,4-dione
CID 154186624
2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]guanidine
CID 135559000
N-[(Z)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]-4-methylbenzamide
CID 135912944
N-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]heptanamide
CID 135493370
6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione
CID 1385843
2-[(E)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]guanidine
CID 135684639
5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 137262645
6-hydroxy-5-methoxy-1H-pyrimidine-2,4-dione
CID 67303112
2-[(E)-1-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)ethylideneamino]guanidine
CID 135604801
2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid
CID 135534479
6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione
CID 171982597
2-[(E)-1-[5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethylideneamino]guanidine;dihydrochloride
CID 172929445

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]guanidine (CID 135625814) is 2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]guanidine is C/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)ethylideneamino]guanidine?
The InChIKey is MTVFCJSCATXGBX-SWGQDTFXSA-N. The full InChI is InChI=1S/C7H10N6O3/c1-2(12-13-6(8)9)3-4(14)10-7(16)11-5(3)15/h1H3,(H4,8,9,13)(H3,10,11,14,15,16)/b12-2+.
What are the key properties of 2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]guanidine?
2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]guanidine has a molecular weight of 226.20 g/mol, XLogP of -2.23, 2 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)ethylideneamino]guanidine is sourced from PubChem (CID 135625814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).