4-methyl-2-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one

C9H12N4O4 — CID 135491613

IUPAC4-methyl-2-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C9H12N4O4/c1-6-7(13(15)16)8(14)11-9(10-6)12-2-4-17-5-3-12/h2-5H2,1H3,(H,10,11,14)
InChIKeyWABIDMYEKCIEKQ-UHFFFAOYSA-N
MW240.22 g/mol
LogP-0.18
Rot. Bonds2

About 4-methyl-2-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one

4-methyl-2-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one (PubChem CID 135491613) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one
PubChem CID135491613
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name4-methyl-2-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C9H12N4O4/c1-6-7(13(15)16)8(14)11-9(10-6)12-2-4-17-5-3-12/h2-5H2,1H3,(H,10,11,14)
InChIKeyWABIDMYEKCIEKQ-UHFFFAOYSA-N
XLogP-0.18
TPSA101.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methyl-2-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one (CID 135491613) is 4-methyl-2-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one is Cc1nc(N2CCOCC2)[nH]c(=O)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-2-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one?
The InChIKey is WABIDMYEKCIEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c1-6-7(13(15)16)8(14)11-9(10-6)12-2-4-17-5-3-12/h2-5H2,1H3,(H,10,11,14).
What are the key properties of 4-methyl-2-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one?
4-methyl-2-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one has a molecular weight of 240.22 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one is sourced from PubChem (CID 135491613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).