carbamic acid;2-nitropyrimidine

C5H6N4O4 — CID 67023140

IUPACcarbamic acid;2-nitropyrimidine
SMILESNC(=O)O.O=[N+]([O-])c1ncccn1
InChIInChI=1S/C4H3N3O2.CH3NO2/c8-7(9)4-5-2-1-3-6-4;2-1(3)4/h1-3H;2H2,(H,3,4)
InChIKeyOKSMUOUAYBRFFR-UHFFFAOYSA-N
MW186.13 g/mol
LogP0.01
Rot. Bonds1

About carbamic acid;2-nitropyrimidine

carbamic acid;2-nitropyrimidine (PubChem CID 67023140) has the molecular formula C5H6N4O4 and a molecular weight of 186.13 g/mol. Its IUPAC name is carbamic acid;2-nitropyrimidine.

Molecular Properties

Compound Namecarbamic acid;2-nitropyrimidine
PubChem CID67023140
Molecular FormulaC5H6N4O4
Molecular Weight186.13 g/mol
Exact Mass186.04
IUPAC Namecarbamic acid;2-nitropyrimidine
SMILESNC(=O)O.O=[N+]([O-])c1ncccn1
InChIInChI=1S/C4H3N3O2.CH3NO2/c8-7(9)4-5-2-1-3-6-4;2-1(3)4/h1-3H;2H2,(H,3,4)
InChIKeyOKSMUOUAYBRFFR-UHFFFAOYSA-N
XLogP0.01
TPSA132.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 carbamic acid;2-nitropyrimidine?
The IUPAC name of carbamic acid;2-nitropyrimidine (CID 67023140) is carbamic acid;2-nitropyrimidine.
What is the SMILES notation for carbamic acid;2-nitropyrimidine?
The canonical SMILES for carbamic acid;2-nitropyrimidine is NC(=O)O.O=[N+]([O-])c1ncccn1.
What is the InChIKey of carbamic acid;2-nitropyrimidine?
The InChIKey is OKSMUOUAYBRFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3O2.CH3NO2/c8-7(9)4-5-2-1-3-6-4;2-1(3)4/h1-3H;2H2,(H,3,4).
What are the key properties of carbamic acid;2-nitropyrimidine?
carbamic acid;2-nitropyrimidine has a molecular weight of 186.13 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;2-nitropyrimidine is sourced from PubChem (CID 67023140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).