4-(2,2-difluoroethoxy)-6-ethylpyrimidine

C8H10F2N2O — CID 89084421

IUPAC4-(2,2-difluoroethoxy)-6-ethylpyrimidine
SMILESCCc1cc(OCC(F)F)ncn1
InChIInChI=1S/C8H10F2N2O/c1-2-6-3-8(12-5-11-6)13-4-7(9)10/h3,5,7H,2,4H2,1H3
InChIKeyDVJAHJQPVJSSAJ-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.68
Rot. Bonds4

About 4-(2,2-difluoroethoxy)-6-ethylpyrimidine

4-(2,2-difluoroethoxy)-6-ethylpyrimidine (PubChem CID 89084421) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-6-ethylpyrimidine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-6-ethylpyrimidine
PubChem CID89084421
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name4-(2,2-difluoroethoxy)-6-ethylpyrimidine
SMILESCCc1cc(OCC(F)F)ncn1
InChIInChI=1S/C8H10F2N2O/c1-2-6-3-8(12-5-11-6)13-4-7(9)10/h3,5,7H,2,4H2,1H3
InChIKeyDVJAHJQPVJSSAJ-UHFFFAOYSA-N
XLogP1.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine
CID 2246718
4-(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-heptyloxy)-6-methyl-pyrimidin-2-ylamine
CID 3109471
4-Methoxy-6-methylpyrimidine
CID 11959085
2,4-Diisobutoxy-6-(3-methyl-butyl)-pyrimidine
CID 25128805
4-(Fluoromethoxy)-6-propan-2-ylpyrimidine
CID 177852945
4-Ethoxy-6-ethylpyrimidin-2-amine
CID 119085413
4-Methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
CID 3764410
4-Methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 839789
4-(Piperidin-4-yloxy)-6-(trifluoromethyl)pyrimidine
CID 11623349
4-(Difluoromethoxy)-6-methylpyrimidine
CID 18769387
4-Methoxy-6-(trifluoromethyl)pyrimidine
CID 18953277
4-Ethoxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 19966718

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-6-ethylpyrimidine?
The IUPAC name of 4-(2,2-difluoroethoxy)-6-ethylpyrimidine (CID 89084421) is 4-(2,2-difluoroethoxy)-6-ethylpyrimidine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-6-ethylpyrimidine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-6-ethylpyrimidine is CCc1cc(OCC(F)F)ncn1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-6-ethylpyrimidine?
The InChIKey is DVJAHJQPVJSSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-2-6-3-8(12-5-11-6)13-4-7(9)10/h3,5,7H,2,4H2,1H3.
What are the key properties of 4-(2,2-difluoroethoxy)-6-ethylpyrimidine?
4-(2,2-difluoroethoxy)-6-ethylpyrimidine has a molecular weight of 188.18 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-6-ethylpyrimidine is sourced from PubChem (CID 89084421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).