4-fluoro-6-(2-methylpropoxy)pyrimidine

C8H11FN2O — CID 115416023

IUPAC4-fluoro-6-(2-methylpropoxy)pyrimidine
SMILESCC(C)COc1cc(F)ncn1
InChIInChI=1S/C8H11FN2O/c1-6(2)4-12-8-3-7(9)10-5-11-8/h3,5-6H,4H2,1-2H3
InChIKeyKQWSBNMWNWVKQD-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.65
Rot. Bonds3

About 4-fluoro-6-(2-methylpropoxy)pyrimidine

4-fluoro-6-(2-methylpropoxy)pyrimidine (PubChem CID 115416023) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 4-fluoro-6-(2-methylpropoxy)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-(2-methylpropoxy)pyrimidine
PubChem CID115416023
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name4-fluoro-6-(2-methylpropoxy)pyrimidine
SMILESCC(C)COc1cc(F)ncn1
InChIInChI=1S/C8H11FN2O/c1-6(2)4-12-8-3-7(9)10-5-11-8/h3,5-6H,4H2,1-2H3
InChIKeyKQWSBNMWNWVKQD-UHFFFAOYSA-N
XLogP1.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(2-methylpropoxy)pyrimidin-4-yl]methanamine
CID 83619704
N-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82453563
1-[6-(2-methylpropoxy)pyrimidin-4-yl]ethanone
CID 83878792
6-(2-methylpropoxy)-N-propylpyrimidin-4-amine
CID 80860454
4-(4,4-dimethylpent-2-ynoxy)-6-fluoropyrimidine
CID 66675265
4-(2-butoxyethoxy)-6-fluoropyrimidine
CID 115416041
6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453564
4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine
CID 106447502
6-fluoro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 115416424
4-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidine
CID 113305641
4-fluoro-6-(oxan-4-ylmethoxy)pyrimidine
CID 115416180
1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene
CID 58298374

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(2-methylpropoxy)pyrimidine?
The IUPAC name of 4-fluoro-6-(2-methylpropoxy)pyrimidine (CID 115416023) is 4-fluoro-6-(2-methylpropoxy)pyrimidine.
What is the SMILES notation for 4-fluoro-6-(2-methylpropoxy)pyrimidine?
The canonical SMILES for 4-fluoro-6-(2-methylpropoxy)pyrimidine is CC(C)COc1cc(F)ncn1.
What is the InChIKey of 4-fluoro-6-(2-methylpropoxy)pyrimidine?
The InChIKey is KQWSBNMWNWVKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-6(2)4-12-8-3-7(9)10-5-11-8/h3,5-6H,4H2,1-2H3.
What are the key properties of 4-fluoro-6-(2-methylpropoxy)pyrimidine?
4-fluoro-6-(2-methylpropoxy)pyrimidine has a molecular weight of 170.19 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(2-methylpropoxy)pyrimidine is sourced from PubChem (CID 115416023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).