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

C19H26N2O5 — CID 139816623

IUPAC6-(2,4-dimethylphenoxy)-1-(1-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCOC(C)OCn1c(Oc2ccc(C)cc2C)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N2O5/c1-11(2)16-17(22)20-19(23)21(10-25-14(5)24-6)18(16)26-15-8-7-12(3)9-13(15)4/h7-9,11,14H,10H2,1-6H3,(H,20,22,23)
InChIKeyBMONNCKILJOMFJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.04
Rot. Bonds7

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

6-(2,4-dimethylphenoxy)-1-(1-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 139816623) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-(2,4-dimethylphenoxy)-1-(1-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,4-dimethylphenoxy)-1-(1-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID139816623
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name6-(2,4-dimethylphenoxy)-1-(1-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCOC(C)OCn1c(Oc2ccc(C)cc2C)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N2O5/c1-11(2)16-17(22)20-19(23)21(10-25-14(5)24-6)18(16)26-15-8-7-12(3)9-13(15)4/h7-9,11,14H,10H2,1-6H3,(H,20,22,23)
InChIKeyBMONNCKILJOMFJ-UHFFFAOYSA-N
XLogP3.04
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenoxy)-1-(1-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 6-(2,4-dimethylphenoxy)-1-(1-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione (CID 139816623) is 6-(2,4-dimethylphenoxy)-1-(1-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,4-dimethylphenoxy)-1-(1-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 6-(2,4-dimethylphenoxy)-1-(1-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione is COC(C)OCn1c(Oc2ccc(C)cc2C)c(C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-(2,4-dimethylphenoxy)-1-(1-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is BMONNCKILJOMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-11(2)16-17(22)20-19(23)21(10-25-14(5)24-6)18(16)26-15-8-7-12(3)9-13(15)4/h7-9,11,14H,10H2,1-6H3,(H,20,22,23).
What are the key properties of 6-(2,4-dimethylphenoxy)-1-(1-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
6-(2,4-dimethylphenoxy)-1-(1-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenoxy)-1-(1-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 139816623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).