N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitramide

C5H6N4O3 — CID 135428283

IUPACN-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitramide
SMILESCc1cc(=O)[nH]c(N[N+](=O)[O-])n1
InChIInChI=1S/C5H6N4O3/c1-3-2-4(10)7-5(6-3)8-9(11)12/h2H,1H3,(H2,6,7,8,10)
InChIKeyRVLQUZZFJPNSFR-UHFFFAOYSA-N
MW170.13 g/mol
LogP-0.32
Rot. Bonds2

About N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitramide

N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitramide (PubChem CID 135428283) has the molecular formula C5H6N4O3 and a molecular weight of 170.13 g/mol. Its IUPAC name is N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitramide.

Molecular Properties

Compound NameN-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitramide
PubChem CID135428283
Molecular FormulaC5H6N4O3
Molecular Weight170.13 g/mol
Exact Mass170.04
IUPAC NameN-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitramide
SMILESCc1cc(=O)[nH]c(N[N+](=O)[O-])n1
InChIInChI=1S/C5H6N4O3/c1-3-2-4(10)7-5(6-3)8-9(11)12/h2H,1H3,(H2,6,7,8,10)
InChIKeyRVLQUZZFJPNSFR-UHFFFAOYSA-N
XLogP-0.32
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-0.32
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-methyl-6-oxo-1H-pyrimidin-2-yl)nitramide?
The IUPAC name of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitramide (CID 135428283) is N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitramide.
What is the SMILES notation for N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitramide?
The canonical SMILES for N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitramide is Cc1cc(=O)[nH]c(N[N+](=O)[O-])n1.
What is the InChIKey of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitramide?
The InChIKey is RVLQUZZFJPNSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O3/c1-3-2-4(10)7-5(6-3)8-9(11)12/h2H,1H3,(H2,6,7,8,10).
What are the key properties of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitramide?
N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitramide has a molecular weight of 170.13 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitramide is sourced from PubChem (CID 135428283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).