1,3-bis(2-methoxyethyl)-5-nitropyrimidine-2,4-dione

C10H15N3O6 — CID 143044410

IUPAC1,3-bis(2-methoxyethyl)-5-nitropyrimidine-2,4-dione
SMILESCOCCn1cc([N+](=O)[O-])c(=O)n(CCOC)c1=O
InChIInChI=1S/C10H15N3O6/c1-18-5-3-11-7-8(13(16)17)9(14)12(10(11)15)4-6-19-2/h7H,3-6H2,1-2H3
InChIKeyPPWXYNXSBZVPOV-UHFFFAOYSA-N
MW273.24 g/mol
LogP-0.79
Rot. Bonds7

About 1,3-bis(2-methoxyethyl)-5-nitropyrimidine-2,4-dione

1,3-bis(2-methoxyethyl)-5-nitropyrimidine-2,4-dione (PubChem CID 143044410) has the molecular formula C10H15N3O6 and a molecular weight of 273.24 g/mol. Its IUPAC name is 1,3-bis(2-methoxyethyl)-5-nitropyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(2-methoxyethyl)-5-nitropyrimidine-2,4-dione
PubChem CID143044410
Molecular FormulaC10H15N3O6
Molecular Weight273.24 g/mol
Exact Mass273.10
IUPAC Name1,3-bis(2-methoxyethyl)-5-nitropyrimidine-2,4-dione
SMILESCOCCn1cc([N+](=O)[O-])c(=O)n(CCOC)c1=O
InChIInChI=1S/C10H15N3O6/c1-18-5-3-11-7-8(13(16)17)9(14)12(10(11)15)4-6-19-2/h7H,3-6H2,1-2H3
InChIKeyPPWXYNXSBZVPOV-UHFFFAOYSA-N
XLogP-0.79
TPSA105.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 1,3-bis(2-methoxyethyl)-5-nitropyrimidine-2,4-dione?
The IUPAC name of 1,3-bis(2-methoxyethyl)-5-nitropyrimidine-2,4-dione (CID 143044410) is 1,3-bis(2-methoxyethyl)-5-nitropyrimidine-2,4-dione.
What is the SMILES notation for 1,3-bis(2-methoxyethyl)-5-nitropyrimidine-2,4-dione?
The canonical SMILES for 1,3-bis(2-methoxyethyl)-5-nitropyrimidine-2,4-dione is COCCn1cc([N+](=O)[O-])c(=O)n(CCOC)c1=O.
What is the InChIKey of 1,3-bis(2-methoxyethyl)-5-nitropyrimidine-2,4-dione?
The InChIKey is PPWXYNXSBZVPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6/c1-18-5-3-11-7-8(13(16)17)9(14)12(10(11)15)4-6-19-2/h7H,3-6H2,1-2H3.
What are the key properties of 1,3-bis(2-methoxyethyl)-5-nitropyrimidine-2,4-dione?
1,3-bis(2-methoxyethyl)-5-nitropyrimidine-2,4-dione has a molecular weight of 273.24 g/mol, XLogP of -0.79, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxyethyl)-5-nitropyrimidine-2,4-dione is sourced from PubChem (CID 143044410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).