6-(3,5-dimethylphenoxy)-1-(2-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione

C19H26N2O5 — CID 23284612

IUPAC6-(3,5-dimethylphenoxy)-1-(2-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCOCCOCn1c(Oc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N2O5/c1-12(2)16-17(22)20-19(23)21(11-25-7-6-24-5)18(16)26-15-9-13(3)8-14(4)10-15/h8-10,12H,6-7,11H2,1-5H3,(H,20,22,23)
InChIKeyBZDPZRBGXVQKCF-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.69
Rot. Bonds8

About 6-(3,5-dimethylphenoxy)-1-(2-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione

6-(3,5-dimethylphenoxy)-1-(2-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 23284612) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-(3,5-dimethylphenoxy)-1-(2-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,5-dimethylphenoxy)-1-(2-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID23284612
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name6-(3,5-dimethylphenoxy)-1-(2-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCOCCOCn1c(Oc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N2O5/c1-12(2)16-17(22)20-19(23)21(11-25-7-6-24-5)18(16)26-15-9-13(3)8-14(4)10-15/h8-10,12H,6-7,11H2,1-5H3,(H,20,22,23)
InChIKeyBZDPZRBGXVQKCF-UHFFFAOYSA-N
XLogP2.69
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenoxy)-1-(2-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 6-(3,5-dimethylphenoxy)-1-(2-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione (CID 23284612) is 6-(3,5-dimethylphenoxy)-1-(2-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,5-dimethylphenoxy)-1-(2-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 6-(3,5-dimethylphenoxy)-1-(2-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione is COCCOCn1c(Oc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-(3,5-dimethylphenoxy)-1-(2-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is BZDPZRBGXVQKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-12(2)16-17(22)20-19(23)21(11-25-7-6-24-5)18(16)26-15-9-13(3)8-14(4)10-15/h8-10,12H,6-7,11H2,1-5H3,(H,20,22,23).
What are the key properties of 6-(3,5-dimethylphenoxy)-1-(2-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
6-(3,5-dimethylphenoxy)-1-(2-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenoxy)-1-(2-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 23284612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).