2-carbamimidoyl-1,1-dimethylguanidine;2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C9H15N7O4 — CID 176534008

IUPAC2-carbamimidoyl-1,1-dimethylguanidine;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(=O)[nH]1.[H]/N=C(N)/N=C(\N)N(C)C
InChIInChI=1S/C5H4N2O4.C4H11N5/c8-3-1-2(4(9)10)6-5(11)7-3;1-9(2)4(7)8-3(5)6/h1H,(H,9,10)(H2,6,7,8,11);1-2H3,(H5,5,6,7,8)
InChIKeyKIAVTTZIWJZMIP-UHFFFAOYSA-N
MW285.26 g/mol
LogP-2.48
Rot. Bonds1

About 2-carbamimidoyl-1,1-dimethylguanidine;2,4-dioxo-1H-pyrimidine-6-carboxylic acid

2-carbamimidoyl-1,1-dimethylguanidine;2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 176534008) has the molecular formula C9H15N7O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-carbamimidoyl-1,1-dimethylguanidine;2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-carbamimidoyl-1,1-dimethylguanidine;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID176534008
Molecular FormulaC9H15N7O4
Molecular Weight285.26 g/mol
Exact Mass285.12
IUPAC Name2-carbamimidoyl-1,1-dimethylguanidine;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(=O)[nH]1.[H]/N=C(N)/N=C(\N)N(C)C
InChIInChI=1S/C5H4N2O4.C4H11N5/c8-3-1-2(4(9)10)6-5(11)7-3;1-9(2)4(7)8-3(5)6/h1H,(H,9,10)(H2,6,7,8,11);1-2H3,(H5,5,6,7,8)
InChIKeyKIAVTTZIWJZMIP-UHFFFAOYSA-N
XLogP-2.48
TPSA194.51 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.26
LogP ≤ 5-2.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-carbamimidoyl-1,1-dimethylguanidine;2,4-dioxo-1H-pyrimidine-6-carboxylic acid with MolForge

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Related Compounds

Metformin orotate
CID 124097
C10H6N4O8Zn
CID 136672228
1-Methylorotic acid
CID 150845
Deanol orotate
CID 6451273
Creatine orotate
CID 12135009
Tricreatine orotate
CID 11444210
cobalt(2+);2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate
CID 136705172
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese(2+);2-oxido-6-oxo-1H-pyrimidine-4-carboxylate
CID 136705173
C10H6MgN4O8
CID 136794844
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;iron(2+);2-oxido-6-oxo-1H-pyrimidine-4-carboxylate
CID 136794845
copper;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate
CID 170844665
2-(Dimethylamino)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
CID 135398941

Frequently Asked Questions

What is the IUPAC name of 2-carbamimidoyl-1,1-dimethylguanidine;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 2-carbamimidoyl-1,1-dimethylguanidine;2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 176534008) is 2-carbamimidoyl-1,1-dimethylguanidine;2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-carbamimidoyl-1,1-dimethylguanidine;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-carbamimidoyl-1,1-dimethylguanidine;2,4-dioxo-1H-pyrimidine-6-carboxylic acid is O=C(O)c1cc(=O)[nH]c(=O)[nH]1.[H]/N=C(N)/N=C(\N)N(C)C.
What is the InChIKey of 2-carbamimidoyl-1,1-dimethylguanidine;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is KIAVTTZIWJZMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4.C4H11N5/c8-3-1-2(4(9)10)6-5(11)7-3;1-9(2)4(7)8-3(5)6/h1H,(H,9,10)(H2,6,7,8,11);1-2H3,(H5,5,6,7,8).
What are the key properties of 2-carbamimidoyl-1,1-dimethylguanidine;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
2-carbamimidoyl-1,1-dimethylguanidine;2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 285.26 g/mol, XLogP of -2.48, 1 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-1,1-dimethylguanidine;2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 176534008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).