6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione

C12H17FN2O2 — CID 143790180

IUPAC6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione
SMILESCC(CC1CC1)c1cc(=O)n(CCF)c(=O)[nH]1
InChIInChI=1S/C12H17FN2O2/c1-8(6-9-2-3-9)10-7-11(16)15(5-4-13)12(17)14-10/h7-9H,2-6H2,1H3,(H,14,17)
InChIKeySIPNIIHPIXAFST-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.41
Rot. Bonds5

About 6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione

6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione (PubChem CID 143790180) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione
PubChem CID143790180
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione
SMILESCC(CC1CC1)c1cc(=O)n(CCF)c(=O)[nH]1
InChIInChI=1S/C12H17FN2O2/c1-8(6-9-2-3-9)10-7-11(16)15(5-4-13)12(17)14-10/h7-9H,2-6H2,1H3,(H,14,17)
InChIKeySIPNIIHPIXAFST-UHFFFAOYSA-N
XLogP1.41
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione (CID 143790180) is 6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione is CC(CC1CC1)c1cc(=O)n(CCF)c(=O)[nH]1.
What is the InChIKey of 6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is SIPNIIHPIXAFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(6-9-2-3-9)10-7-11(16)15(5-4-13)12(17)14-10/h7-9H,2-6H2,1H3,(H,14,17).
What are the key properties of 6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione?
6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 240.28 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 143790180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).