4-[(4,4-difluorocyclohexyl)methoxy]-6-ethylpyrimidine

C13H18F2N2O — CID 177057545

IUPAC4-[(4,4-difluorocyclohexyl)methoxy]-6-ethylpyrimidine
SMILESCCc1cc(OCC2CCC(F)(F)CC2)ncn1
InChIInChI=1S/C13H18F2N2O/c1-2-11-7-12(17-9-16-11)18-8-10-3-5-13(14,15)6-4-10/h7,9-10H,2-6,8H2,1H3
InChIKeyGIBRGNOWVHSTIA-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.24
Rot. Bonds4

About 4-[(4,4-difluorocyclohexyl)methoxy]-6-ethylpyrimidine

4-[(4,4-difluorocyclohexyl)methoxy]-6-ethylpyrimidine (PubChem CID 177057545) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[(4,4-difluorocyclohexyl)methoxy]-6-ethylpyrimidine.

Molecular Properties

Compound Name4-[(4,4-difluorocyclohexyl)methoxy]-6-ethylpyrimidine
PubChem CID177057545
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-[(4,4-difluorocyclohexyl)methoxy]-6-ethylpyrimidine
SMILESCCc1cc(OCC2CCC(F)(F)CC2)ncn1
InChIInChI=1S/C13H18F2N2O/c1-2-11-7-12(17-9-16-11)18-8-10-3-5-13(14,15)6-4-10/h7,9-10H,2-6,8H2,1H3
InChIKeyGIBRGNOWVHSTIA-UHFFFAOYSA-N
XLogP3.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Diisobutoxy-6-(3-methyl-butyl)-pyrimidine
CID 25128805
4-(Fluoromethoxy)-6-propan-2-ylpyrimidine
CID 177852945
(3aR*,7aS*)-2-{2-[(6-ethylpyrimidin-4-yl)oxy]hex-5-en-1-yl}-2,3,3a,4,7,7a-hexahydro-1H-isoindole
CID 56913069
4-(2,2-Difluoroethoxy)-5,6,7,8-tetrahydroquinazoline
CID 126954579
4-But-2-ynoxy-6-[fluoro-(2-fluorophenyl)methyl]pyrimidine
CID 17933267
4-(2-Butynyloxy)-6-(3-fluorobenzyl)pyrimidine
CID 22599667
4-(2,6-Difluorophenyl)-6-(2-butynyloxy)pyrimidine
CID 22599673
4-(2,3-Difluorophenyl)-6-(2-hexynyloxy)pyrimidine
CID 22599687
4-(2-Butynyloxy)-6-(4-fluorobenzyl)pyrimidine
CID 22599708
4-(3-Fluorophenyl)-6-(2-butynyloxy)pyrimidine
CID 22599720
4-(2,3-Difluorophenyl)-6-(4-fluoro-2-butynyloxy)pyrimidine
CID 22599732
4-But-2-ynoxy-6-[difluoro-(2-fluorophenyl)methyl]pyrimidine
CID 22599736

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-difluorocyclohexyl)methoxy]-6-ethylpyrimidine?
The IUPAC name of 4-[(4,4-difluorocyclohexyl)methoxy]-6-ethylpyrimidine (CID 177057545) is 4-[(4,4-difluorocyclohexyl)methoxy]-6-ethylpyrimidine.
What is the SMILES notation for 4-[(4,4-difluorocyclohexyl)methoxy]-6-ethylpyrimidine?
The canonical SMILES for 4-[(4,4-difluorocyclohexyl)methoxy]-6-ethylpyrimidine is CCc1cc(OCC2CCC(F)(F)CC2)ncn1.
What is the InChIKey of 4-[(4,4-difluorocyclohexyl)methoxy]-6-ethylpyrimidine?
The InChIKey is GIBRGNOWVHSTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-2-11-7-12(17-9-16-11)18-8-10-3-5-13(14,15)6-4-10/h7,9-10H,2-6,8H2,1H3.
What are the key properties of 4-[(4,4-difluorocyclohexyl)methoxy]-6-ethylpyrimidine?
4-[(4,4-difluorocyclohexyl)methoxy]-6-ethylpyrimidine has a molecular weight of 256.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-difluorocyclohexyl)methoxy]-6-ethylpyrimidine is sourced from PubChem (CID 177057545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).