3-(2-methoxyethyl)-5-nitro-1-propylpyrimidine-2,4-dione

C10H15N3O5 — CID 142683808

IUPAC3-(2-methoxyethyl)-5-nitro-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc([N+](=O)[O-])c(=O)n(CCOC)c1=O
InChIInChI=1S/C10H15N3O5/c1-3-4-11-7-8(13(16)17)9(14)12(10(11)15)5-6-18-2/h7H,3-6H2,1-2H3
InChIKeyKKYQRTJDWDIDLJ-UHFFFAOYSA-N
MW257.25 g/mol
LogP-0.03
Rot. Bonds6

About 3-(2-methoxyethyl)-5-nitro-1-propylpyrimidine-2,4-dione

3-(2-methoxyethyl)-5-nitro-1-propylpyrimidine-2,4-dione (PubChem CID 142683808) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-nitro-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-nitro-1-propylpyrimidine-2,4-dione
PubChem CID142683808
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name3-(2-methoxyethyl)-5-nitro-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc([N+](=O)[O-])c(=O)n(CCOC)c1=O
InChIInChI=1S/C10H15N3O5/c1-3-4-11-7-8(13(16)17)9(14)12(10(11)15)5-6-18-2/h7H,3-6H2,1-2H3
InChIKeyKKYQRTJDWDIDLJ-UHFFFAOYSA-N
XLogP-0.03
TPSA96.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 3-(2-methoxyethyl)-5-nitro-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-(2-methoxyethyl)-5-nitro-1-propylpyrimidine-2,4-dione (CID 142683808) is 3-(2-methoxyethyl)-5-nitro-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-methoxyethyl)-5-nitro-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-(2-methoxyethyl)-5-nitro-1-propylpyrimidine-2,4-dione is CCCn1cc([N+](=O)[O-])c(=O)n(CCOC)c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-5-nitro-1-propylpyrimidine-2,4-dione?
The InChIKey is KKYQRTJDWDIDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-3-4-11-7-8(13(16)17)9(14)12(10(11)15)5-6-18-2/h7H,3-6H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-5-nitro-1-propylpyrimidine-2,4-dione?
3-(2-methoxyethyl)-5-nitro-1-propylpyrimidine-2,4-dione has a molecular weight of 257.25 g/mol, XLogP of -0.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-nitro-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 142683808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).