N-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)nitramide

C6H8N4O3 — CID 135590469

IUPACN-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)nitramide
SMILESCc1nc(N[N+](=O)[O-])[nH]c(=O)c1C
InChIInChI=1S/C6H8N4O3/c1-3-4(2)7-6(8-5(3)11)9-10(12)13/h1-2H3,(H2,7,8,9,11)
InChIKeyXVVZDBBEFWLSCA-UHFFFAOYSA-N
MW184.16 g/mol
LogP-0.01
Rot. Bonds2

About N-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)nitramide

N-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)nitramide (PubChem CID 135590469) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is N-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)nitramide.

Molecular Properties

Compound NameN-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)nitramide
PubChem CID135590469
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC NameN-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)nitramide
SMILESCc1nc(N[N+](=O)[O-])[nH]c(=O)c1C
InChIInChI=1S/C6H8N4O3/c1-3-4(2)7-6(8-5(3)11)9-10(12)13/h1-2H3,(H2,7,8,9,11)
InChIKeyXVVZDBBEFWLSCA-UHFFFAOYSA-N
XLogP-0.01
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)nitramide?
The IUPAC name of N-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)nitramide (CID 135590469) is N-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)nitramide.
What is the SMILES notation for N-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)nitramide?
The canonical SMILES for N-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)nitramide is Cc1nc(N[N+](=O)[O-])[nH]c(=O)c1C.
What is the InChIKey of N-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)nitramide?
The InChIKey is XVVZDBBEFWLSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-3-4(2)7-6(8-5(3)11)9-10(12)13/h1-2H3,(H2,7,8,9,11).
What are the key properties of N-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)nitramide?
N-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)nitramide has a molecular weight of 184.16 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)nitramide is sourced from PubChem (CID 135590469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).