1-[4-(2,2-difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone

C11H14F2N2O2 — CID 154949232

IUPAC1-[4-(2,2-difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone
SMILESCCc1ncnc(OCC(C)(F)F)c1C(C)=O
InChIInChI=1S/C11H14F2N2O2/c1-4-8-9(7(2)16)10(15-6-14-8)17-5-11(3,12)13/h6H,4-5H2,1-3H3
InChIKeyBRLGWVMGNQRUOX-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.28
Rot. Bonds5

About 1-[4-(2,2-difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone

1-[4-(2,2-difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone (PubChem CID 154949232) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 1-[4-(2,2-difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,2-difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone
PubChem CID154949232
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name1-[4-(2,2-difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone
SMILESCCc1ncnc(OCC(C)(F)F)c1C(C)=O
InChIInChI=1S/C11H14F2N2O2/c1-4-8-9(7(2)16)10(15-6-14-8)17-5-11(3,12)13/h6H,4-5H2,1-3H3
InChIKeyBRLGWVMGNQRUOX-UHFFFAOYSA-N
XLogP2.28
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ethoxy-6-(trifluoromethyl)pyrimidine-5-carbaldehyde
CID 17862878
1-[4-(2,2-Difluorobutoxy)-6-ethylpyrimidin-5-yl]ethanone
CID 126711019
4-Ethoxy-6-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 150000717
1-(5-Methyl-6-propan-2-yloxypyrimidin-4-yl)ethanone
CID 19694222
4-Cyclopropyl-6-methoxypyrimidine-5-carbaldehyde
CID 83482118
2-Amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one
CID 90064102
4,7-Dimethylpyrano[2,3-d]pyrimidin-5-one
CID 117960309
(E)-3-(dimethylamino)-1-(4-methoxy-6-methylpyrimidin-5-yl)prop-2-en-1-one
CID 134427632
Ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone
CID 145128595
1-(4-Butoxy-2-chloro-6-methylpyrimidin-5-yl)propan-1-one
CID 170185896
2,4,7-Tri(propan-2-yl)pyrano[2,3-d]pyrimidin-5-one
CID 171769804
1-(6-Ethoxy-5-methylpyrimidin-4-yl)propan-2-one
CID 66325762

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone?
The IUPAC name of 1-[4-(2,2-difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone (CID 154949232) is 1-[4-(2,2-difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[4-(2,2-difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[4-(2,2-difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone is CCc1ncnc(OCC(C)(F)F)c1C(C)=O.
What is the InChIKey of 1-[4-(2,2-difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone?
The InChIKey is BRLGWVMGNQRUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-4-8-9(7(2)16)10(15-6-14-8)17-5-11(3,12)13/h6H,4-5H2,1-3H3.
What are the key properties of 1-[4-(2,2-difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone?
1-[4-(2,2-difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone has a molecular weight of 244.24 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone is sourced from PubChem (CID 154949232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).