6-[(3,5-dimethylphenyl)-fluoromethyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione

C19H25FN2O3 — CID 25213476

IUPAC6-[(3,5-dimethylphenyl)-fluoromethyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCCOCn1c(C(F)c2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H25FN2O3/c1-6-25-10-22-17(15(11(2)3)18(23)21-19(22)24)16(20)14-8-12(4)7-13(5)9-14/h7-9,11,16H,6,10H2,1-5H3,(H,21,23,24)
InChIKeyDUGUXLYCLMVTOH-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.33
Rot. Bonds6

About 6-[(3,5-dimethylphenyl)-fluoromethyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione

6-[(3,5-dimethylphenyl)-fluoromethyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 25213476) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 6-[(3,5-dimethylphenyl)-fluoromethyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3,5-dimethylphenyl)-fluoromethyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID25213476
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name6-[(3,5-dimethylphenyl)-fluoromethyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCCOCn1c(C(F)c2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H25FN2O3/c1-6-25-10-22-17(15(11(2)3)18(23)21-19(22)24)16(20)14-8-12(4)7-13(5)9-14/h7-9,11,16H,6,10H2,1-5H3,(H,21,23,24)
InChIKeyDUGUXLYCLMVTOH-UHFFFAOYSA-N
XLogP3.33
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Emivirine
CID 65013
6-(3,5-Dimethylbenzyl)-1-(ethoxymethyl)-5-isopropyluracil
CID 3457
1-(Allyloxymethyl)-6-(3,5-dimethylbenzyl)-5-ethyl-uracil
CID 501417
6-[(3,5-Dimethylphenyl)methyl]-5-ethyl-1-(3-methylbut-2-enoxymethyl)pyrimidine-2,4-dione
CID 501418
1-(Allyloxymethyl)-6-[(3,5-dimethylphenyl)methyl]-5-isopropyl-pyrimidine-2,4-dione
CID 501423
6-[(3,5-Dimethylphenyl)methyl]-1-(2-methylprop-2-enoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 11078804
6-[(3,5-Dimethylphenyl)methyl]-5-isopropyl-1-(3-methylbut-2-enoxymethyl)pyrimidine-2,4-dione
CID 501424
1-(Allyloxymethyl)-6-benzyl-5-isopropyl-pyrimidine-2,4-dione
CID 501413
6-Benzyl-5-isopropyl-1-(3-methylbut-2-enyloxymethyl)uracil
CID 501414
6-Benzyl-5-isopropyl-1-(2-methylallyloxymethyl)-uracil
CID 501415
6-Benzyl-5-isopropyl-1-(prop-2-ynyloxymethyl)uracil
CID 501416
6-[(3,5-Dimethylphenyl)methyl]-5-ethyl-1-(2-methylallyloxymethyl)pyrimidine-2,4-dione
CID 501419

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethylphenyl)-fluoromethyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 6-[(3,5-dimethylphenyl)-fluoromethyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione (CID 25213476) is 6-[(3,5-dimethylphenyl)-fluoromethyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3,5-dimethylphenyl)-fluoromethyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(3,5-dimethylphenyl)-fluoromethyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione is CCOCn1c(C(F)c2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-[(3,5-dimethylphenyl)-fluoromethyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is DUGUXLYCLMVTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-6-25-10-22-17(15(11(2)3)18(23)21-19(22)24)16(20)14-8-12(4)7-13(5)9-14/h7-9,11,16H,6,10H2,1-5H3,(H,21,23,24).
What are the key properties of 6-[(3,5-dimethylphenyl)-fluoromethyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
6-[(3,5-dimethylphenyl)-fluoromethyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 348.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethylphenyl)-fluoromethyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 25213476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).