3-tert-butyl-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione

C10H15FN2O2 — CID 177129762

IUPAC3-tert-butyl-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(CF)cc(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C10H15FN2O2/c1-10(2,3)13-8(14)5-7(6-11)12(4)9(13)15/h5H,6H2,1-4H3
InChIKeyLMSQSLOEEIRZPQ-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.77
Rot. Bonds1

About 3-tert-butyl-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione

3-tert-butyl-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione (PubChem CID 177129762) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 3-tert-butyl-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione
PubChem CID177129762
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name3-tert-butyl-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(CF)cc(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C10H15FN2O2/c1-10(2,3)13-8(14)5-7(6-11)12(4)9(13)15/h5H,6H2,1-4H3
InChIKeyLMSQSLOEEIRZPQ-UHFFFAOYSA-N
XLogP0.77
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,6-Trimethyl-2,4(1H,3H)-pyrimidinedione
CID 26075
N(1),N(3)-Diallyl-6-methyluracil
CID 173882
1,6-Dimethyl-3-ethyluracil
CID 21627127
5-Fluoro-1,3,6-trimethyluracil
CID 129754172
1,3-Diethyl-6-methyluracil
CID 12357931
2,4(1H,3H)-Pyrimidinedione, 6-methyl-3-(1-methylpropyl)-, sodium salt (1:1)
CID 13613053
2,4(1H,3H)-Pyrimidinedione, 3-(1,1-dimethylethyl)-6-methyl-, sodium salt (1:1)
CID 23695309
1,3-Dimethyl-6-(trifluoromethyl)uracil
CID 2758669
1-Methyl-3-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 11172400
3-[(E)-but-2-enyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 21510802
3-but-2-enyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 53664361
1-(Fluoromethyl)-3,6-dimethylpyrimidine-2,4-dione
CID 67523102

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-tert-butyl-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione (CID 177129762) is 3-tert-butyl-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-tert-butyl-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-tert-butyl-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione is Cn1c(CF)cc(=O)n(C(C)(C)C)c1=O.
What is the InChIKey of 3-tert-butyl-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is LMSQSLOEEIRZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-10(2,3)13-8(14)5-7(6-11)12(4)9(13)15/h5H,6H2,1-4H3.
What are the key properties of 3-tert-butyl-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione?
3-tert-butyl-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione has a molecular weight of 214.24 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 177129762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).