6-(2,2-dimethoxyethylamino)-1-[(3,5-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione

C18H25N3O4 — CID 5108384

IUPAC6-(2,2-dimethoxyethylamino)-1-[(3,5-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione
SMILESCOC(CNc1cc(=O)n(C)c(=O)n1Cc1cc(C)cc(C)c1)OC
InChIInChI=1S/C18H25N3O4/c1-12-6-13(2)8-14(7-12)11-21-15(19-10-17(24-4)25-5)9-16(22)20(3)18(21)23/h6-9,17,19H,10-11H2,1-5H3
InChIKeySMBIFYWYIJGJLJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.24
Rot. Bonds7

About 6-(2,2-dimethoxyethylamino)-1-[(3,5-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione

6-(2,2-dimethoxyethylamino)-1-[(3,5-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione (PubChem CID 5108384) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-(2,2-dimethoxyethylamino)-1-[(3,5-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,2-dimethoxyethylamino)-1-[(3,5-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione
PubChem CID5108384
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name6-(2,2-dimethoxyethylamino)-1-[(3,5-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione
SMILESCOC(CNc1cc(=O)n(C)c(=O)n1Cc1cc(C)cc(C)c1)OC
InChIInChI=1S/C18H25N3O4/c1-12-6-13(2)8-14(7-12)11-21-15(19-10-17(24-4)25-5)9-16(22)20(3)18(21)23/h6-9,17,19H,10-11H2,1-5H3
InChIKeySMBIFYWYIJGJLJ-UHFFFAOYSA-N
XLogP1.24
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2,2-dimethoxyethylamino)-1-[(3,5-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-(2,2-dimethoxyethylamino)-1-[(3,5-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione (CID 5108384) is 6-(2,2-dimethoxyethylamino)-1-[(3,5-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,2-dimethoxyethylamino)-1-[(3,5-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-(2,2-dimethoxyethylamino)-1-[(3,5-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione is COC(CNc1cc(=O)n(C)c(=O)n1Cc1cc(C)cc(C)c1)OC.
What is the InChIKey of 6-(2,2-dimethoxyethylamino)-1-[(3,5-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione?
The InChIKey is SMBIFYWYIJGJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12-6-13(2)8-14(7-12)11-21-15(19-10-17(24-4)25-5)9-16(22)20(3)18(21)23/h6-9,17,19H,10-11H2,1-5H3.
What are the key properties of 6-(2,2-dimethoxyethylamino)-1-[(3,5-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione?
6-(2,2-dimethoxyethylamino)-1-[(3,5-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 347.42 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethoxyethylamino)-1-[(3,5-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 5108384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).