4-(2-butoxyethoxy)-6-fluoropyrimidine

C10H15FN2O2 — CID 115416041

IUPAC4-(2-butoxyethoxy)-6-fluoropyrimidine
SMILESCCCCOCCOc1cc(F)ncn1
InChIInChI=1S/C10H15FN2O2/c1-2-3-4-14-5-6-15-10-7-9(11)12-8-13-10/h7-8H,2-6H2,1H3
InChIKeyWJHJTWRDTHHAOQ-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.81
Rot. Bonds7

About 4-(2-butoxyethoxy)-6-fluoropyrimidine

4-(2-butoxyethoxy)-6-fluoropyrimidine (PubChem CID 115416041) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)-6-fluoropyrimidine.

Molecular Properties

Compound Name4-(2-butoxyethoxy)-6-fluoropyrimidine
PubChem CID115416041
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name4-(2-butoxyethoxy)-6-fluoropyrimidine
SMILESCCCCOCCOc1cc(F)ncn1
InChIInChI=1S/C10H15FN2O2/c1-2-3-4-14-5-6-15-10-7-9(11)12-8-13-10/h7-8H,2-6H2,1H3
InChIKeyWJHJTWRDTHHAOQ-UHFFFAOYSA-N
XLogP1.81
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-6-fluoropyridine
CID 104561460
4-fluoro-6-(2-methylpropoxy)pyrimidine
CID 115416023
4-(2-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566154
4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine
CID 80740016
6-(2-butoxyethoxy)pyridin-3-amine
CID 3031377
6-butoxy-N-cyclohexylpyrimidin-4-amine
CID 82453632
4-(2-butoxyethoxy)pyrimidin-2-amine
CID 80861687
N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62292173
6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80941132
[6-(2-butoxyethoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80909301
4-bromo-2-(2-butoxyethoxy)-1-fluorobenzene
CID 115919154
N-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine
CID 114927751

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethoxy)-6-fluoropyrimidine?
The IUPAC name of 4-(2-butoxyethoxy)-6-fluoropyrimidine (CID 115416041) is 4-(2-butoxyethoxy)-6-fluoropyrimidine.
What is the SMILES notation for 4-(2-butoxyethoxy)-6-fluoropyrimidine?
The canonical SMILES for 4-(2-butoxyethoxy)-6-fluoropyrimidine is CCCCOCCOc1cc(F)ncn1.
What is the InChIKey of 4-(2-butoxyethoxy)-6-fluoropyrimidine?
The InChIKey is WJHJTWRDTHHAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-2-3-4-14-5-6-15-10-7-9(11)12-8-13-10/h7-8H,2-6H2,1H3.
What are the key properties of 4-(2-butoxyethoxy)-6-fluoropyrimidine?
4-(2-butoxyethoxy)-6-fluoropyrimidine has a molecular weight of 214.24 g/mol, XLogP of 1.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)-6-fluoropyrimidine is sourced from PubChem (CID 115416041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).