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

C8H10N4O4 — CID 135817330

IUPAC4-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N4O4/c13-8-6(12(14)15)7(9-5-10-8)11-1-3-16-4-2-11/h5H,1-4H2,(H,9,10,13)
InChIKeyHDNHPJLTSGHDHM-UHFFFAOYSA-N
MW226.19 g/mol
LogP-0.49
Rot. Bonds2

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

4-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one (PubChem CID 135817330) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is 4-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one
PubChem CID135817330
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name4-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N4O4/c13-8-6(12(14)15)7(9-5-10-8)11-1-3-16-4-2-11/h5H,1-4H2,(H,9,10,13)
InChIKeyHDNHPJLTSGHDHM-UHFFFAOYSA-N
XLogP-0.49
TPSA101.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.49
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one?
The IUPAC name of 4-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one (CID 135817330) is 4-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one?
The canonical SMILES for 4-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCOCC2)c1[N+](=O)[O-].
What is the InChIKey of 4-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one?
The InChIKey is HDNHPJLTSGHDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c13-8-6(12(14)15)7(9-5-10-8)11-1-3-16-4-2-11/h5H,1-4H2,(H,9,10,13).
What are the key properties of 4-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one?
4-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one has a molecular weight of 226.19 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-5-nitro-1H-pyrimidin-6-one is sourced from PubChem (CID 135817330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).