6-[2-(4-fluorophenyl)ethoxy]-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine

C17H20FN3O2 — CID 166626361

IUPAC6-[2-(4-fluorophenyl)ethoxy]-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESCN(c1cc(OCCc2ccc(F)cc2)ncn1)C1CCOC1
InChIInChI=1S/C17H20FN3O2/c1-21(15-7-8-22-11-15)16-10-17(20-12-19-16)23-9-6-13-2-4-14(18)5-3-13/h2-5,10,12,15H,6-9,11H2,1H3
InChIKeyUBJBMHOOBQAXAS-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.46
Rot. Bonds6

About 6-[2-(4-fluorophenyl)ethoxy]-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine

6-[2-(4-fluorophenyl)ethoxy]-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 166626361) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)ethoxy]-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)ethoxy]-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID166626361
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name6-[2-(4-fluorophenyl)ethoxy]-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESCN(c1cc(OCCc2ccc(F)cc2)ncn1)C1CCOC1
InChIInChI=1S/C17H20FN3O2/c1-21(15-7-8-22-11-15)16-10-17(20-12-19-16)23-9-6-13-2-4-14(18)5-3-13/h2-5,10,12,15H,6-9,11H2,1H3
InChIKeyUBJBMHOOBQAXAS-UHFFFAOYSA-N
XLogP2.46
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)ethoxy]-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-[2-(4-fluorophenyl)ethoxy]-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine (CID 166626361) is 6-[2-(4-fluorophenyl)ethoxy]-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(4-fluorophenyl)ethoxy]-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-[2-(4-fluorophenyl)ethoxy]-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine is CN(c1cc(OCCc2ccc(F)cc2)ncn1)C1CCOC1.
What is the InChIKey of 6-[2-(4-fluorophenyl)ethoxy]-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is UBJBMHOOBQAXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-21(15-7-8-22-11-15)16-10-17(20-12-19-16)23-9-6-13-2-4-14(18)5-3-13/h2-5,10,12,15H,6-9,11H2,1H3.
What are the key properties of 6-[2-(4-fluorophenyl)ethoxy]-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
6-[2-(4-fluorophenyl)ethoxy]-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 317.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)ethoxy]-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 166626361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).