(N-hydroxy-N'-pyrimidin-2-ylcarbamimidoyl)carbamic acid

C6H7N5O3 — CID 173035854

IUPAC(N-hydroxy-N'-pyrimidin-2-ylcarbamimidoyl)carbamic acid
SMILESO=C(O)NC(=Nc1ncccn1)NO
InChIInChI=1S/C6H7N5O3/c12-6(13)10-5(11-14)9-4-7-2-1-3-8-4/h1-3,14H,(H,12,13)(H2,7,8,9,10,11)
InChIKeyVEQXLSKGVLNUAB-UHFFFAOYSA-N
MW197.15 g/mol
LogP-0.29
Rot. Bonds1

About (N-hydroxy-N'-pyrimidin-2-ylcarbamimidoyl)carbamic acid

(N-hydroxy-N'-pyrimidin-2-ylcarbamimidoyl)carbamic acid (PubChem CID 173035854) has the molecular formula C6H7N5O3 and a molecular weight of 197.15 g/mol. Its IUPAC name is (N-hydroxy-N'-pyrimidin-2-ylcarbamimidoyl)carbamic acid.

Molecular Properties

Compound Name(N-hydroxy-N'-pyrimidin-2-ylcarbamimidoyl)carbamic acid
PubChem CID173035854
Molecular FormulaC6H7N5O3
Molecular Weight197.15 g/mol
Exact Mass197.05
IUPAC Name(N-hydroxy-N'-pyrimidin-2-ylcarbamimidoyl)carbamic acid
SMILESO=C(O)NC(=Nc1ncccn1)NO
InChIInChI=1S/C6H7N5O3/c12-6(13)10-5(11-14)9-4-7-2-1-3-8-4/h1-3,14H,(H,12,13)(H2,7,8,9,10,11)
InChIKeyVEQXLSKGVLNUAB-UHFFFAOYSA-N
XLogP-0.29
TPSA119.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of (N-hydroxy-N'-pyrimidin-2-ylcarbamimidoyl)carbamic acid?
The IUPAC name of (N-hydroxy-N'-pyrimidin-2-ylcarbamimidoyl)carbamic acid (CID 173035854) is (N-hydroxy-N'-pyrimidin-2-ylcarbamimidoyl)carbamic acid.
What is the SMILES notation for (N-hydroxy-N'-pyrimidin-2-ylcarbamimidoyl)carbamic acid?
The canonical SMILES for (N-hydroxy-N'-pyrimidin-2-ylcarbamimidoyl)carbamic acid is O=C(O)NC(=Nc1ncccn1)NO.
What is the InChIKey of (N-hydroxy-N'-pyrimidin-2-ylcarbamimidoyl)carbamic acid?
The InChIKey is VEQXLSKGVLNUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O3/c12-6(13)10-5(11-14)9-4-7-2-1-3-8-4/h1-3,14H,(H,12,13)(H2,7,8,9,10,11).
What are the key properties of (N-hydroxy-N'-pyrimidin-2-ylcarbamimidoyl)carbamic acid?
(N-hydroxy-N'-pyrimidin-2-ylcarbamimidoyl)carbamic acid has a molecular weight of 197.15 g/mol, XLogP of -0.29, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (N-hydroxy-N'-pyrimidin-2-ylcarbamimidoyl)carbamic acid is sourced from PubChem (CID 173035854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).