3-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)pyrimidine-2,4-dione

C16H20N2O3 — CID 11616234

IUPAC3-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)pyrimidine-2,4-dione
SMILESCCOCn1ccc(=O)n(Cc2cc(C)cc(C)c2)c1=O
InChIInChI=1S/C16H20N2O3/c1-4-21-11-17-6-5-15(19)18(16(17)20)10-14-8-12(2)7-13(3)9-14/h5-9H,4,10-11H2,1-3H3
InChIKeyBEFJZOWHEBJOMR-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.67
Rot. Bonds5

About 3-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)pyrimidine-2,4-dione

3-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)pyrimidine-2,4-dione (PubChem CID 11616234) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)pyrimidine-2,4-dione
PubChem CID11616234
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)pyrimidine-2,4-dione
SMILESCCOCn1ccc(=O)n(Cc2cc(C)cc(C)c2)c1=O
InChIInChI=1S/C16H20N2O3/c1-4-21-11-17-6-5-15(19)18(16(17)20)10-14-8-12(2)7-13(3)9-14/h5-9H,4,10-11H2,1-3H3
InChIKeyBEFJZOWHEBJOMR-UHFFFAOYSA-N
XLogP1.67
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzyl-5-methyl-1H-pyrimidine-2,4-dione
CID 237953
1-Benzyluracil
CID 237962
1,3-Dibenzylpyrimidine-2,4-dione
CID 698951
Stk169393
CID 319814
Ethyl 3-(3-benzyl-5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
CID 805490
6-Azido-1-benzyl-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
CID 56924725
6-Amino-1-benzyl-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
CID 56924726
1-[(E)-cinnamyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
CID 71525097
1-benzyl-3-(tert-butyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 678777
5-(Benzylamino)-1-(3,5-dimethylbenzyl)uracil
CID 42647974
Stk640482
CID 256117
Mls002703665
CID 265551

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)pyrimidine-2,4-dione (CID 11616234) is 3-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)pyrimidine-2,4-dione is CCOCn1ccc(=O)n(Cc2cc(C)cc(C)c2)c1=O.
What is the InChIKey of 3-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is BEFJZOWHEBJOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-21-11-17-6-5-15(19)18(16(17)20)10-14-8-12(2)7-13(3)9-14/h5-9H,4,10-11H2,1-3H3.
What are the key properties of 3-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)pyrimidine-2,4-dione?
3-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11616234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).