4-fluoro-6-(oxan-4-ylmethoxy)pyrimidine

C10H13FN2O2 — CID 115416180

IUPAC4-fluoro-6-(oxan-4-ylmethoxy)pyrimidine
SMILESFc1cc(OCC2CCOCC2)ncn1
InChIInChI=1S/C10H13FN2O2/c11-9-5-10(13-7-12-9)15-6-8-1-3-14-4-2-8/h5,7-8H,1-4,6H2
InChIKeyCGXCVXBZQFIPMD-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.42
Rot. Bonds3

About 4-fluoro-6-(oxan-4-ylmethoxy)pyrimidine

4-fluoro-6-(oxan-4-ylmethoxy)pyrimidine (PubChem CID 115416180) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 4-fluoro-6-(oxan-4-ylmethoxy)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-(oxan-4-ylmethoxy)pyrimidine
PubChem CID115416180
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name4-fluoro-6-(oxan-4-ylmethoxy)pyrimidine
SMILESFc1cc(OCC2CCOCC2)ncn1
InChIInChI=1S/C10H13FN2O2/c11-9-5-10(13-7-12-9)15-6-8-1-3-14-4-2-8/h5,7-8H,1-4,6H2
InChIKeyCGXCVXBZQFIPMD-UHFFFAOYSA-N
XLogP1.42
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-6-(oxolan-3-yloxy)pyrimidine
CID 115416188
2-(oxan-4-ylmethoxy)pyridin-4-amine
CID 62381987
6-(oxan-4-ylmethoxy)pyridin-2-amine
CID 80651934
2-(oxan-4-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride
CID 90156342
2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine
CID 114562086
6-(oxan-4-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774501
4-cyclopentyloxy-6-fluoropyrimidine
CID 115416010
6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid
CID 55066392
[6-(oxan-4-ylmethoxy)-3-pyridinyl]boronic acid
CID 71093696
ethane;4-methyl-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidine
CID 176691029
2-methyl-6-(oxan-4-ylmethoxy)pyrido[3,4-d]pyrimidin-4-amine
CID 175785046
4-fluoro-6-(2-methylpropoxy)pyrimidine
CID 115416023

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(oxan-4-ylmethoxy)pyrimidine?
The IUPAC name of 4-fluoro-6-(oxan-4-ylmethoxy)pyrimidine (CID 115416180) is 4-fluoro-6-(oxan-4-ylmethoxy)pyrimidine.
What is the SMILES notation for 4-fluoro-6-(oxan-4-ylmethoxy)pyrimidine?
The canonical SMILES for 4-fluoro-6-(oxan-4-ylmethoxy)pyrimidine is Fc1cc(OCC2CCOCC2)ncn1.
What is the InChIKey of 4-fluoro-6-(oxan-4-ylmethoxy)pyrimidine?
The InChIKey is CGXCVXBZQFIPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c11-9-5-10(13-7-12-9)15-6-8-1-3-14-4-2-8/h5,7-8H,1-4,6H2.
What are the key properties of 4-fluoro-6-(oxan-4-ylmethoxy)pyrimidine?
4-fluoro-6-(oxan-4-ylmethoxy)pyrimidine has a molecular weight of 212.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(oxan-4-ylmethoxy)pyrimidine is sourced from PubChem (CID 115416180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).